1.0 2019-08-26 17:02:33 UTC 2019-11-26 03:24:13 UTC FDB093550 2-Caren-10-al C10H14O 150.221 150.104465071 7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carbaldehyde 7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carbaldehyde CC1(C)C2CCC(C=O)=CC12 InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5-6,8-9H,3-4H2,1-2H3 RAHRTJHAYXOITA-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 Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carane monoterpenoid Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 2.16 ALOGPS logs -2.22 ALOGPS solubility 8.98e-01 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carbaldehyde ChemAxon average_mass 150.221 ChemAxon mono_mass 150.104465071 ChemAxon smiles CC1(C)C2CCC(C=O)=CC12 ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5-6,8-9H,3-4H2,1-2H3 ChemAxon inchikey RAHRTJHAYXOITA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.51 ChemAxon polarizability 17.39 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3609352 Specdb::MsMs 3609353 Specdb::MsMs 3609354 Specdb::MsMs 3610417 Specdb::MsMs 3610418 Specdb::MsMs 3610419 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