1.0 2010-04-08 22:12:14 UTC 2019-11-26 03:12:44 UTC FDB016094 (R)-8-Acetoxycarvotanacetone Constituent of cardamom oil. (R)-8-Acetoxycarvotanacetone is found in herbs and spices. (R)-8-Acetoxy-p-menth-6-en-2-one (R)-8-Acetoxycarvotanacetone C12H18O3 210.2695 210.125594442 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate 56691-69-1 CC(=O)OC(C)(C)C1CC=C(C)C(=O)C1 InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3 FTCAQUBXEGKQTD-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Carboxylic acid esters Cyclohexenones Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 2.13 ALOGPS logs -2.45 ALOGPS solubility 7.49e-01 g/l ALOGPS logp 1.95 ChemAxon pka_strongest_acidic 19.05 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 2-(4-methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate ChemAxon average_mass 210.2695 ChemAxon mono_mass 210.125594442 ChemAxon smiles CC(=O)OC(C)(C)C1CC=C(C)C(=O)C1 ChemAxon formula C12H18O3 ChemAxon inchi InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3 ChemAxon inchikey FTCAQUBXEGKQTD-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 58.31 ChemAxon polarizability 23.18 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24768 Specdb::CMs 167291 Specdb::MsIr 7378 Specdb::MsIr 7379 Specdb::MsMs 109596 Specdb::MsMs 109597 Specdb::MsMs 109598 Specdb::MsMs 177063 Specdb::MsMs 177064 Specdb::MsMs 177065 Specdb::MsMs 2289576 Specdb::MsMs 2289577 Specdb::MsMs 2289578 Specdb::MsMs 2648766 Specdb::MsMs 2648767 Specdb::MsMs 2648768 HMDB37104 #<Reference:0x000055ce323a4520> Herbs and Spices Unknown generic