Record Information
Version1.0
Creation date2010-04-08 22:06:23 UTC
Update date2019-11-26 03:00:13 UTC
Primary IDFDB004769
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameTetradecene
Description1-tetradecene is a member of the class of compounds known as unsaturated aliphatic hydrocarbons. Unsaturated aliphatic hydrocarbons are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 1-tetradecene is considered to be a hydrocarbon lipid molecule. 1-tetradecene can be found in safflower, which makes 1-tetradecene a potential biomarker for the consumption of this food product. 1-tetradecene can be found primarily in saliva.
CAS Number1120-36-1
Structure
Thumb
Synonyms
SynonymSource
1-TetradecyleneChEBI
alpha-TetradeceneChEBI
N-Tetradec-1-eneChEBI
a-TetradeceneGenerator
Α-tetradeceneGenerator
2-Tetradecenebiospider
N-tetradecenebiospider
Tetradecylenebiospider
trans-2-tetradecenebiospider
Predicted Properties
PropertyValueSource
Water Solubility0.00011 g/LALOGPS
logP7.27ALOGPS
logP6.38ChemAxon
logS-6.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity66.26 m³·mol⁻¹ChemAxon
Polarizability28.12 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC14H28
IUPAC nametetradec-1-ene
InChI IdentifierInChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
InChI KeyHFDVRLIODXPAHB-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCC=C
Average Molecular Weight196.3721
Monoisotopic Molecular Weight196.219100896
Classification
Description Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-052f-9000000000-c164fdcba229cacaea87Spectrum
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-0a4l-9000000000-2064e9ca5f6367c98603Spectrum
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-01ot-9700000000-283472fd7bc74e3efa11Spectrum
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-052f-9000000000-c164fdcba229cacaea87Spectrum
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-0a4l-9000000000-2064e9ca5f6367c98603Spectrum
GC-MSTetradecene, non-derivatized, GC-MS Spectrumsplash10-01ot-9700000000-283472fd7bc74e3efa11Spectrum
Predicted GC-MSTetradecene, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-05ad-9500000000-801949ad5af4d0207be4Spectrum
Predicted GC-MSTetradecene, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0900000000-20b95c47acb1dfd9eb9d2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-4900000000-dc50a9b1f705b9a044e52016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9200000000-271e5d12b0d51972a6dc2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-3855469bf5809e8ac0a32016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-243fbd8bc54f091a80c12016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-002b-6900000000-c70969ed1dae5d7d0c782016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0592-9200000000-be4b246325ea3d93e2a12021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0abc-9000000000-ff19083f751743f2d8942021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-141922a730f36877bc572021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0900000000-a144c2e247ea7109ab952021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0900000000-a144c2e247ea7109ab952021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00r2-3900000000-de3fa65d41f5fb256e1f2021-09-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID5352912
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDTETRADECENE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).