1.0
2019-08-26 17:02:31 UTC
2019-11-26 03:24:13 UTC
FDB093549
Ocimenol
C10H18O
154.253
154.1357652
(5E)-2,6-dimethylocta-5,7-dien-2-ol
(5E)-2,6-dimethylocta-5,7-dien-2-ol
[H]\C(CCC(C)(C)O)=C(\C)C=C
InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+
IJFKZRMIRAVXRK-VQHVLOKHSA-N
logp
3.10
logs
-2.43
solubility
5.74e-01 g/l
logp
2.41
pka_strongest_acidic
18.66
pka_strongest_basic
-1.2
iupac
(5E)-2,6-dimethylocta-5,7-dien-2-ol
average_mass
154.253
mono_mass
154.1357652
smiles
[H]\C(CCC(C)(C)O)=C(\C)C=C
formula
C10H18O
inchi
InChI=1S/C10H18O/c1-5-9(2)7-6-8-10(3,4)11/h5,7,11H,1,6,8H2,2-4H3/b9-7+
inchikey
IJFKZRMIRAVXRK-VQHVLOKHSA-N
polar_surface_area
20.23
refractivity
50.44
polarizability
19.33
rotatable_bond_count
4
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
6006
Specdb::MsMs
241540
Specdb::MsMs
241541
Specdb::MsMs
241542
Specdb::MsMs
243595
Specdb::MsMs
243596
Specdb::MsMs
243597
Cherry tomato
Type 1
specific
Solanum lycopersicum var. cerasiforme
195583
Garden tomato
Type 1
specific
Solanum lycopersicum
4081
Garden tomato (var.)
Type 1
specific
Solanum lycopersicum var. lycopersicum
397755
Grape
Type 1
specific
Vitis
3603