1.0 2010-04-08 22:11:11 UTC 2019-11-26 03:09:46 UTC FDB014283 3-Caren-5-one Constituent of Kaempferia galanga (galangal). 3-Caren-5-one is found in herbs and spices. 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one, 9CI Car-3-en-5-one C10H14O 150.2176 150.10446507 4,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one 4,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one 81800-50-2 CC1=CC(=O)C2C(C1)C2(C)C InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3 WDILKLCBAXJFIA-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 Cyclohexenones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carane monoterpenoid Carbonyl group Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound logp 2.06 ALOGPS logs -1.59 ALOGPS solubility 3.86e+00 g/l ALOGPS logp 2.24 ChemAxon pka_strongest_acidic 18.79 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 4,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-one ChemAxon average_mass 150.2176 ChemAxon mono_mass 150.10446507 ChemAxon smiles CC1=CC(=O)C2C(C1)C2(C)C ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-6-4-7-9(8(11)5-6)10(7,2)3/h5,7,9H,4H2,1-3H3 ChemAxon inchikey WDILKLCBAXJFIA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.37 ChemAxon polarizability 17.4 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14259 Specdb::CMs 136888 Specdb::CMs 144622 Specdb::MsIr 6943 Specdb::MsIr 6944 Specdb::MsMs 54216 Specdb::MsMs 54217 Specdb::MsMs 54218 Specdb::MsMs 155994 Specdb::MsMs 155995 Specdb::MsMs 155996 Specdb::MsMs 2468107 Specdb::MsMs 2468108 Specdb::MsMs 2468109 Specdb::MsMs 2497571 Specdb::MsMs 2497572 Specdb::MsMs 2497573 Specdb::NmrOneD 132018 Specdb::NmrOneD 132019 Specdb::NmrOneD 132020 Specdb::NmrOneD 132021 Specdb::NmrOneD 132022 Specdb::NmrOneD 132023 Specdb::NmrOneD 132024 Specdb::NmrOneD 132025 Specdb::NmrOneD 132026 Specdb::NmrOneD 132027 Specdb::NmrOneD 132028 Specdb::NmrOneD 132029 Specdb::NmrOneD 132030 Specdb::NmrOneD 132031 Specdb::NmrOneD 132032 Specdb::NmrOneD 132033 Specdb::NmrOneD 132034 Specdb::NmrOneD 132035 Specdb::NmrOneD 132036 Specdb::NmrOneD 132037 HMDB35591 #<Reference:0x000055ce316fdd58> Herbs and Spices Unknown generic