1.0
2010-04-08 22:12:23 UTC
2019-11-26 03:13:05 UTC
FDB016347
Methyl 2-decenoate
Flavouring ingredient
Methyl (E)-dec-2-enoate
Methyl 2-decenoate
Methyl 2E-decenoate
C11H20O2
184.2753
184.146329884
methyl (2E)-dec-2-enoate
methyl (2E)-dec-2-enoate
2482-39-5
CCCCCCC\C=C\C(=O)OC
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3/b10-9+
VVBWOSGRZNCEBX-MDZDMXLPSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Enoate esters
Hydrocarbon derivatives
Methyl esters
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Alpha,beta-unsaturated carboxylic ester
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Enoate ester
Fatty acid ester
Hydrocarbon derivative
Methyl ester
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
4.50
logs
-4.12
solubility
1.40e-02 g/l
logp
3.97
pka_strongest_basic
-6.8
iupac
methyl (2E)-dec-2-enoate
average_mass
184.2753
mono_mass
184.146329884
smiles
CCCCCCC\C=C\C(=O)OC
formula
C11H20O2
inchi
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3/b10-9+
inchikey
VVBWOSGRZNCEBX-MDZDMXLPSA-N
polar_surface_area
26.3
refractivity
55.34
polarizability
22.59
rotatable_bond_count
8
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
12928
Specdb::CMs
131437
Specdb::CMs
139171
Specdb::MsIr
5366
Specdb::MsIr
5367
Specdb::MsMs
74691
Specdb::MsMs
74692
Specdb::MsMs
74693
Specdb::MsMs
134148
Specdb::MsMs
134149
Specdb::MsMs
134150
Specdb::MsMs
2403509
Specdb::MsMs
2403510
Specdb::MsMs
2403511
Specdb::MsMs
2535590
Specdb::MsMs
2535591
Specdb::MsMs
2535592
HMDB32396
#<Reference:0x00005556745cc748>
Pear
Type 1
specific
Pyrus communis
23211
fresh
green
soapy