1.0 2011-09-26 22:56:03 UTC 2015-07-21 07:00:57 UTC FDB029760 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol benzoate Flavouring compound [Flavornet] C17H22O2 258.361 258.161979948 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate 26927-90-2 CC1(C)C2CCC1(C)C(C2)OC(=O)C1=CC=CC=C1 InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3 FLOISDYCXINJOB-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 Aromatic homopolycyclic compounds Aromatic monoterpenoids Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Aromatic homopolycyclic compound Aromatic monoterpenoid Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Bicyclic monoterpenoid Bornane monoterpenoid Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 4.73 ALOGPS logs -5.00 ALOGPS solubility 2.57e-03 g/l ALOGPS logp 4.48 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate ChemAxon average_mass 258.361 ChemAxon mono_mass 258.161979948 ChemAxon smiles CC1(C)C2CCC1(C)C(C2)OC(=O)C1=CC=CC=C1 ChemAxon formula C17H22O2 ChemAxon inchi InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3 ChemAxon inchikey FLOISDYCXINJOB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 75.14 ChemAxon polarizability 29.83 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1295638 Specdb::MsMs 1295639 Specdb::MsMs 1295640 Specdb::MsMs 1410292 Specdb::MsMs 1410293 Specdb::MsMs 1410294 Specdb::MsMs 3607405 Specdb::MsMs 3607406 Specdb::MsMs 3607407 Specdb::MsMs 3607408 Specdb::MsMs 3607409 Specdb::MsMs 3607410 balsam balsamic pine