1.0 2010-04-08 22:11:45 UTC 2018-05-29 01:17:48 UTC FDB015270 (Z)-alpha-Bergamotenoic acid Flavouring ingredient. Constituent of East Indian sandalwood oil C15H22O2 234.334 234.161979948 (2E)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-enoic acid (2E)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-enoic acid 124439-27-6 C\C(=C/CCC1(C)C2CC1C(C)=CC2)C(O)=O InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+ CTORLPNPQPAKGI-VZUCSPMQSA-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 acids Hydrocarbon derivatives Medium-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic homopolycyclic compound Bicyclic monoterpenoid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Pinane monoterpenoid Unsaturated fatty acid logp 4.50 ALOGPS logs -3.83 ALOGPS solubility 3.48e-02 g/l ALOGPS logp 3.65 ChemAxon pka_strongest_acidic 5.06 ChemAxon iupac (2E)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-enoic acid ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles C\C(=C/CCC1(C)C2CC1C(C)=CC2)C(O)=O ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-10-6-7-12-9-13(10)15(12,3)8-4-5-11(2)14(16)17/h5-6,12-13H,4,7-9H2,1-3H3,(H,16,17)/b11-5+ ChemAxon inchikey CTORLPNPQPAKGI-VZUCSPMQSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 70.24 ChemAxon polarizability 27.66 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14784 Specdb::CMs 44849 Specdb::CMs 137505 Specdb::CMs 145239 Specdb::MsMs 61809 Specdb::MsMs 61810 Specdb::MsMs 61811 Specdb::MsMs 118416 Specdb::MsMs 118417 Specdb::MsMs 118418 Specdb::MsMs 2796419 Specdb::MsMs 2796420 Specdb::MsMs 2796421 Specdb::MsMs 2886059 Specdb::MsMs 2886060 Specdb::MsMs 2886061 HMDB36392 #<Reference:0x000055ce32c6c608>