1.0
2010-04-08 22:05:49 UTC
2015-07-20 21:55:34 UTC
FDB003479
(Z)-4-Hepten-1-ol
Food flavourant
(4Z)-4-Hepten-1-ol
(Z)-4-Hepten-1-ol
(Z)-Hept-4-en-1-ol
4-Hepten-1-ol, (4Z)-
4-Hepten-1-ol, (Z)-
4-Hepten-1-ol, cis-
cis-4-hepten-1-ol
cis-Hept-4-enol
FEMA 3841
C7H14O
114.1855
114.10446507
(4Z)-hept-4-en-1-ol
(4Z)-hept-4-en-1-ol
6191-71-5
CC\C=C/CCCO
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
CUKAXHVLXKIPKF-ARJAWSKDSA-N
logp
2.20
logs
-1.40
solubility
4.60e+00 g/l
logp
1.78
pka_strongest_acidic
16.96
pka_strongest_basic
-1.9
iupac
(4Z)-hept-4-en-1-ol
average_mass
114.1855
mono_mass
114.10446507
smiles
CC\C=C/CCCO
formula
C7H14O
inchi
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
inchikey
CUKAXHVLXKIPKF-ARJAWSKDSA-N
polar_surface_area
20.23
refractivity
37.05
polarizability
14.28
rotatable_bond_count
4
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsIr
4421
Specdb::MsIr
4422
Specdb::MsIr
4423
Specdb::CMs
10947
Specdb::CMs
42475
Specdb::CMs
146233
Specdb::NmrOneD
163749
Specdb::NmrOneD
163750
Specdb::NmrOneD
163751
Specdb::NmrOneD
163752
Specdb::NmrOneD
163753
Specdb::NmrOneD
163754
Specdb::NmrOneD
163755
Specdb::NmrOneD
163756
Specdb::NmrOneD
163757
Specdb::NmrOneD
163758
Specdb::NmrOneD
163759
Specdb::NmrOneD
163760
Specdb::NmrOneD
163761
Specdb::NmrOneD
163762
Specdb::NmrOneD
163763
Specdb::NmrOneD
163764
Specdb::NmrOneD
163765
Specdb::NmrOneD
163766
Specdb::NmrOneD
163767
Specdb::NmrOneD
163768
Specdb::MsMs
66453
Specdb::MsMs
66454
Specdb::MsMs
66455
Specdb::MsMs
124020
Specdb::MsMs
124021
Specdb::MsMs
124022
Specdb::MsMs
2736308
Specdb::MsMs
2736309
Specdb::MsMs
2736310
Specdb::MsMs
2969034
Specdb::MsMs
2969035
Specdb::MsMs
2969036
HMDB31405
#<Reference:0x000055567404da10>
creamy
dairy
fatty
fresh
grassy
green
oily
vegetable