1.0 2010-04-08 22:11:32 UTC 2018-05-29 01:15:31 UTC FDB014901 1-Acetyl-4-isopropenylcyclopentene Isolated from oil of Eucalyptus globulus (Tasmanian blue gum) 1-[4-(1-Methylethenyl)-1-cyclopenten-1-yl]ethanone, 9CI 4-Isopropenyl-1-cyclopenten-1-yl methyl ketone C10H14O 150.2176 150.10446507 1-[4-(prop-1-en-2-yl)cyclopent-1-en-1-yl]ethan-1-one 1-[4-(prop-1-en-2-yl)cyclopent-1-en-1-yl]ethanone 2704-76-9 CC(=C)C1CC=C(C1)C(C)=O InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3 BTXSVMBTNJSALB-UHFFFAOYSA-N belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Monocyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Ketones Organic oxides Aliphatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Other cyclopentane monoterpenoids logp 2.82 ALOGPS logs -2.20 ALOGPS solubility 9.57e-01 g/l ALOGPS logp 2.3 ChemAxon pka_strongest_acidic 19.7 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 1-[4-(prop-1-en-2-yl)cyclopent-1-en-1-yl]ethan-1-one ChemAxon average_mass 150.2176 ChemAxon mono_mass 150.10446507 ChemAxon smiles CC(=C)C1CC=C(C1)C(C)=O ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-7(2)9-4-5-10(6-9)8(3)11/h5,9H,1,4,6H2,2-3H3 ChemAxon inchikey BTXSVMBTNJSALB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 47.15 ChemAxon polarizability 17.55 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7077 Specdb::MsIr 7078 Specdb::CMs 16888 Specdb::CMs 172825 Specdb::MsMs 82581 Specdb::MsMs 82582 Specdb::MsMs 82583 Specdb::MsMs 143988 Specdb::MsMs 143989 Specdb::MsMs 143990 Specdb::MsMs 2785288 Specdb::MsMs 2785289 Specdb::MsMs 2785290 Specdb::MsMs 2923999 Specdb::MsMs 2924000 Specdb::MsMs 2924001 HMDB36070 #<Reference:0x000055ce317b87c0>