1.0
2010-04-08 22:12:17 UTC
2015-07-20 23:26:55 UTC
FDB016197
2-Propenyl cyclohexanehexanoate
Flavouring ingredient
2-Propen-1-yl cyclohexanecaproate
2-Propenyl cyclohexanehexanoate
Allyl 6-cyclohexanehexanoate
Allyl cyclohexanecaproate
Allyl cyclohexanehexanoate
Allyl hexahydrophenylhexanoate
Cyclohexanehexanoic acid, 2-propenyl ester
Cyclohexanehexanoic acid, allyl ester
FEMA 2025
C15H26O2
238.3657
238.193280076
prop-2-en-1-yl 6-cyclohexylhexanoate
prop-2-en-1-yl 6-cyclohexylhexanoate
7493-66-5
C=CCOC(=O)CCCCCC1CCCCC1
InChI=1S/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
MMVNCZIEXUKMHF-UHFFFAOYSA-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 homomonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic homomonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
5.42
logs
-5.63
solubility
5.62e-04 g/l
logp
4.73
pka_strongest_basic
-7
iupac
prop-2-en-1-yl 6-cyclohexylhexanoate
average_mass
238.3657
mono_mass
238.193280076
smiles
C=CCOC(=O)CCCCCC1CCCCC1
formula
C15H26O2
inchi
InChI=1S/C15H26O2/c1-2-13-17-15(16)12-8-4-7-11-14-9-5-3-6-10-14/h2,14H,1,3-13H2
inchikey
MMVNCZIEXUKMHF-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
70.76
polarizability
29.69
rotatable_bond_count
9
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
25926
Specdb::CMs
134142
Specdb::CMs
141876
Specdb::MsMs
57267
Specdb::MsMs
57268
Specdb::MsMs
57269
Specdb::MsMs
112899
Specdb::MsMs
112900
Specdb::MsMs
112901
Specdb::MsMs
2844578
Specdb::MsMs
2844579
Specdb::MsMs
2844580
Specdb::MsMs
2860582
Specdb::MsMs
2860583
Specdb::MsMs
2860584
HMDB37195
#<Reference:0x00005556759bbbf0>
fatty
fruity