1.0
2010-04-08 22:14:44 UTC
2019-11-26 03:18:15 UTC
FDB020001
Geranyl valerate
Isolated from sassafras oil. Geranyl valerate is found in alcoholic beverages.
(2E)-3,7-Dimethyl-2,6-octadienyl pentanoate
3,7-Dimethyl-2,6-octadienyl ester(e)-pentanoic acid
Geranyl pentanoate
Geranyl valerate
Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
C15H26O2
238.3657
238.193280076
(2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate
(2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate
10402-47-8
CCCCC(=O)OC\C=C(\C)CCC=C(C)C
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
CVSWGLSBJFKWMW-KAMYIIQDSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Acyclic monoterpenoids
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Acyclic monoterpenoid
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Monoterpenoid
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
5.61
logs
-3.98
solubility
2.49e-02 g/l
melting_point
Mp 291°
logp
4.53
pka_strongest_basic
-7
iupac
(2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate
average_mass
238.3657
mono_mass
238.193280076
smiles
CCCCC(=O)OC\C=C(\C)CCC=C(C)C
formula
C15H26O2
inchi
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
inchikey
CVSWGLSBJFKWMW-KAMYIIQDSA-N
polar_surface_area
26.3
refractivity
74.16
polarizability
29.4
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
20663
Specdb::CMs
133739
Specdb::CMs
141473
Specdb::MsMs
312025
Specdb::MsMs
312026
Specdb::MsMs
312027
Specdb::MsMs
357157
Specdb::MsMs
357158
Specdb::MsMs
357159
Specdb::MsMs
2292198
Specdb::MsMs
2292199
Specdb::MsMs
2292200
Specdb::MsMs
2646081
Specdb::MsMs
2646082
Specdb::MsMs
2646083
HMDB40281
#<Reference:0x0000555675d8d378>
Alcoholic beverages
Unknown
generic
fruit
fruity
pineapple
rose