1.0
2010-04-08 22:13:09 UTC
2018-05-28 19:42:17 UTC
FDB017541
Isobornyl formate
Flavouring agent
1,7,7-Trimethyl-formateendo-bicyclo(2.2.1)heptan-2-ol
1,7,7-Trimethyl-formateendo-bicyclo[2.2.1]heptan-2-ol
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate, exo-
2-Bornyl formate, exo-
2-Camphanyl formate, exo-
Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, formate, exo-
Endo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl formate
Endo-2-bornanyl formate
exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl formate
FEMA 2162
Isoborneol, formate
Isobornyl formate
Isobornyl methanoate
C11H18O2
182.2594
182.13067982
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
7492-41-3
CC1(C)C2CCC1(C)C(C2)OC=O
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
RDWUNORUTVEHJF-UHFFFAOYSA-N
belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
Bicyclic monoterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Monoterpenoids
Aliphatic homopolycyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic homopolycyclic compound
Bicyclic monoterpenoid
Bornane monoterpenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
3.34
logs
-3.07
solubility
1.56e-01 g/l
logp
2.38
pka_strongest_basic
-6.8
iupac
1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl formate
average_mass
182.2594
mono_mass
182.13067982
smiles
CC1(C)C2CCC1(C)C(C2)OC=O
formula
C11H18O2
inchi
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3
inchikey
RDWUNORUTVEHJF-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
49.98
polarizability
20.62
rotatable_bond_count
2
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
11162
Specdb::CMs
28340
Specdb::CMs
28341
Specdb::CMs
101938
Specdb::CMs
101939
Specdb::CMs
170517
Specdb::MsMs
55338
Specdb::MsMs
55339
Specdb::MsMs
55340
Specdb::MsMs
110469
Specdb::MsMs
110470
Specdb::MsMs
110471
Specdb::MsMs
2292141
Specdb::MsMs
2292142
Specdb::MsMs
2292143
Specdb::MsMs
2646150
Specdb::MsMs
2646151
Specdb::MsMs
2646152
HMDB38245
#<Reference:0x0000555675512720>
camphor
earth
green
medical
musty
woody