Record Information
Version1.0
Creation date2010-04-08 22:10:46 UTC
Update date2019-11-26 03:08:33 UTC
Primary IDFDB013524
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name(Z)-11-Eicosen-1-ol
Description(Z)-11-Eicosen-1-ol belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, (Z)-11-eicosen-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (Z)-11-Eicosen-1-ol.
CAS Number62442-62-0
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility2.7e-05 g/LALOGPS
logP8.69ALOGPS
logP7.56ChemAxon
logS-7ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count17ChemAxon
Refractivity96.87 m³·mol⁻¹ChemAxon
Polarizability41.92 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC20H40O
IUPAC name(11E)-icos-11-en-1-ol
InChI IdentifierInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+
InChI KeyQYOZAXQSDUAPDS-MDZDMXLPSA-N
Isomeric SMILESCCCCCCCC\C=C\CCCCCCCCCCO
Average Molecular Weight296.531
Monoisotopic Molecular Weight296.307915902
Classification
Description Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentLong-chain fatty alcohols
Alternative Parents
Substituents
  • Long chain fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MS(Z)-11-Eicosen-1-ol, non-derivatized, GC-MS Spectrumsplash10-05nf-9000000000-5b7739079e31469d2ed2Spectrum
GC-MS(Z)-11-Eicosen-1-ol, non-derivatized, GC-MS Spectrumsplash10-05nf-9000000000-5b7739079e31469d2ed2Spectrum
Predicted GC-MS(Z)-11-Eicosen-1-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0005-6960000000-a643867dc7859ec1ca8cSpectrum
Predicted GC-MS(Z)-11-Eicosen-1-ol, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0fk9-9542000000-4981f1af63ba86fbc7e8Spectrum
Predicted GC-MS(Z)-11-Eicosen-1-ol, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004j-0090000000-37dc0df08060f54951432016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-4590000000-5eeef224ab6e36f11d8b2016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052f-9840000000-8c3753a8431d7372dfc52016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0090000000-9042a6518244839579bc2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0090000000-c602510d56e7c06957d12016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004m-8590000000-9aed218cbf7b96da45132016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0090000000-2f702178cb616025d7f32021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0090000000-0d6f497fdd97fdd97fc92021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4m-5190000000-7ee2b70d7980933cfc012021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-3190000000-a71f1ffe3baf2e15883f2021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-052b-9140000000-10eef0649a5441b018792021-09-24View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4l-9000000000-f8c2d9621093c01bef5d2021-09-24View Spectrum
NMRNot Available
ChemSpider ID8076485
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID9900830
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB34933
CRC / DFC (Dictionary of Food Compounds) IDJDN00-A:JDX58-V
EAFUS IDNot Available
Dr. Duke IDNot Available
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
Arabica coffeeExpected but not quantifiedNot AvailableDFC CODES
Robusta coffeeExpected but not quantifiedNot AvailableDFC CODES
Showing 1 to 2 of 2 entries
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