1.0
2010-04-08 22:12:46 UTC
2015-07-20 23:34:31 UTC
FDB016978
6-(3-Hexenyl)tetrahydro-2H-pyran-2-one
Flavouring ingredient
(Z)-6-(3-Hexenyl)tetrahydro-2H-pyran-2-one
2H-Pyran-2-one, 6-(3-hexenyl)tetrahydro-, (Z)-
2H-Pyran-2-one, 6-(3Z)-3-hexen-1-yltetrahydro-
2H-Pyran-2-one, 6-(3Z)-3-hexenyltetrahydro-
5-Hydroxy-8-undecenoic acid delta-lactone
5-Hydroxy-cis-8-undecenoic acid lactone
6-(3-Hexenyl)tetrahydro-(Z)-2H-pyran-2-one
6-(3-Hexenyl)tetrahydro-2H-pyran-2-one, (Z)-
6-(3-Hexenyl)tetrahydro-2H-pyran-2-one, 9CI, 8CI
6-(3Z)-3-Hexen-1-yltetrahydro-2H-pyran-2-one
6-(3Z)-3-Hexenyltetrahydro-2H-pyran-2-one
FEMA 3758
C11H18O2
182.2594
182.13067982
6-[(3Z)-hex-3-en-1-yl]oxan-2-one
6-[(3Z)-hex-3-en-1-yl]oxan-2-one
68959-28-4
CC\C=C/CCC1CCCC(=O)O1
InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
UJHDFCVFLRPEJQ-ARJAWSKDSA-N
belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
Delta valerolactones
Organic compounds
Organoheterocyclic compounds
Lactones
Delta valerolactones
Aliphatic heteromonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Oxacyclic compounds
Oxanes
Aliphatic heteromonocyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Delta valerolactone
Delta_valerolactone
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Oxacycle
Oxane
logp
3.52
logs
-3.31
solubility
9.01e-02 g/l
logp
2.95
pka_strongest_basic
-7
iupac
6-[(3Z)-hex-3-en-1-yl]oxan-2-one
average_mass
182.2594
mono_mass
182.13067982
smiles
CC\C=C/CCC1CCCC(=O)O1
formula
C11H18O2
inchi
InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h3-4,10H,2,5-9H2,1H3/b4-3-
inchikey
UJHDFCVFLRPEJQ-ARJAWSKDSA-N
polar_surface_area
26.3
refractivity
53.37
polarizability
21.25
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7681
Specdb::CMs
13082
Specdb::CMs
135150
Specdb::CMs
142884
Specdb::MsMs
294742
Specdb::MsMs
294743
Specdb::MsMs
294744
Specdb::MsMs
335542
Specdb::MsMs
335543
Specdb::MsMs
335544
Specdb::MsMs
2328492
Specdb::MsMs
2328493
Specdb::MsMs
2328494
Specdb::MsMs
2633795
Specdb::MsMs
2633796
Specdb::MsMs
2633797
HMDB37829
#<Reference:0x000055567645e760>
buttery
coconut
creamy
dairy
fruity
peach
plum