1.0
2010-04-08 22:10:37 UTC
2019-11-26 03:08:14 UTC
FDB013268
Methyl (2E,4Z)-decadienoate
Found in pears and spineless monkey orange. Flavour for candies etc
E,Z-Methyl 2,4-decadienoate
Ethyl (2E,4Z)-2,4-nonadienoate
FEMA 3859
Methyl (2E,4Z)-2,4-decadienoate
Methyl (E,Z)-2,4-decadienoate
Methyl (e)-2,(Z)-4-decadienoate
Methyl 2,4-decadienoate
Methyl ester(2e,4Z)-2,4-decadienoic acid
Methyl ester(e,e)-2,4-decadienoic acid
Methyl ester(e,Z)-2,4-decadienoic acid
C11H18O2
182.2594
182.13067982
methyl (2E,4Z)-deca-2,4-dienoate
methyl (2E,4Z)-deca-2,4-dienoate
4493-42-9
CCCCC\C=C/C=C/C(=O)OC
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
SFHSEXGIVSBRRK-UQGDGPGGSA-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
Wax monoesters
logp
4.18
logs
-3.97
solubility
1.96e-02 g/l
logp
3.6
pka_strongest_basic
-6.8
iupac
methyl (2E,4Z)-deca-2,4-dienoate
average_mass
182.2594
mono_mass
182.13067982
smiles
CCCCC\C=C/C=C/C(=O)OC
formula
C11H18O2
inchi
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+
inchikey
SFHSEXGIVSBRRK-UQGDGPGGSA-N
polar_surface_area
26.3
refractivity
56.46
polarizability
21.56
rotatable_bond_count
7
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
6667
Specdb::CMs
16983
Specdb::CMs
147172
Specdb::MsMs
303568
Specdb::MsMs
303569
Specdb::MsMs
303570
Specdb::MsMs
346549
Specdb::MsMs
346550
Specdb::MsMs
346551
Specdb::MsMs
3056162
Specdb::MsMs
3056163
Specdb::MsMs
3056164
Specdb::MsMs
3110735
Specdb::MsMs
3110736
Specdb::MsMs
3110737
HMDB34730
#<Reference:0x0000555674566290>
Asian pear
Type 1
specific
Pyrus pyrifolia
3767
Fruits
Unknown
generic
Pear
Type 1
specific
Pyrus communis
23211
Pomes
Unknown
generic
fruity
pear
waxy