1.0
2010-04-08 22:09:57 UTC
2019-11-26 03:05:59 UTC
FDB012026
Methyl decanoate
Constituent of many plants.
Capric acid methyl ester
Decanoic acid methyl ester
Decanoic acid, methyl ester
Decanoic acid,methyl ester
Metholene 2095
Methyl caprate
Methyl caprinate
Methyl decanoate
Methyl n-caprate
Methyl n-decanoate
Methyl-n-caprate
N-capric acid methyl ester
Uniphat A30
C11H22O2
186.2912
186.161979948
methyl decanoate
methyl decanoate
110-42-9
CCCCCCCCCC(=O)OC
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
Fatty acid methyl esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Methyl esters
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid methyl ester
Hydrocarbon derivative
Methyl ester
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
Liquid
logp
4.58
logs
-4.00
solubility
1.86e-02 g/l
melting_point
-18 oC
logp
3.74
pka_strongest_basic
-7
iupac
methyl decanoate
average_mass
186.2912
mono_mass
186.161979948
smiles
CCCCCCCCCC(=O)OC
formula
C11H22O2
inchi
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
inchikey
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
54.25
polarizability
23.64
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::NmrOneD
4438
Specdb::NmrOneD
4556
Specdb::CMs
1038
Specdb::CMs
2364
Specdb::CMs
28192
Specdb::CMs
28220
Specdb::CMs
28242
Specdb::CMs
28692
Specdb::CMs
31634
Specdb::CMs
32310
Specdb::CMs
145805
Specdb::MsIr
6304
Specdb::MsIr
6305
Specdb::MsMs
9944
Specdb::MsMs
9945
Specdb::MsMs
9946
Specdb::MsMs
16616
Specdb::MsMs
16617
Specdb::MsMs
16618
Specdb::MsMs
2667187
Specdb::MsMs
2667188
Specdb::MsMs
2667189
Specdb::MsMs
3012200
Specdb::MsMs
3012201
Specdb::MsMs
3012202
HMDB33848
#<Reference:0x0000555675e904f0>
Asian pear
Type 1
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23211
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floral
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wine