1.0 2010-04-08 22:10:47 UTC 2019-11-26 03:08:36 UTC FDB013566 (-)-Carvomenthone Isolated from oils of Tanacetum vulgare (tansy). (-)-Carvomenthone is found in cornmint and herbs and spices. (-)-Carvomenthone C10H18O 154.2493 154.135765198 (2S,5S)-2-methyl-5-(propan-2-yl)cyclohexan-1-one (2S,5S)-5-isopropyl-2-methylcyclohexan-1-one 13163-73-0 CC(C)[C@H]1CC[C@H](C)C(=O)C1 InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1 GCRTVIUGJCJVDD-IUCAKERBSA-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 Cyclic ketones Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Liquid logp 2.68 ALOGPS logs -2.80 ALOGPS solubility 2.47e-01 g/l ALOGPS logp 3.05 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (2S,5S)-2-methyl-5-(propan-2-yl)cyclohexan-1-one ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)[C@H]1CC[C@H](C)C(=O)C1 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1 ChemAxon inchikey GCRTVIUGJCJVDD-IUCAKERBSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 46.52 ChemAxon polarizability 19.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25402 Specdb::CMs 165219 Specdb::MsIr 6745 Specdb::MsIr 6746 Specdb::MsMs 88896 Specdb::MsMs 88897 Specdb::MsMs 88898 Specdb::MsMs 151707 Specdb::MsMs 151708 Specdb::MsMs 151709 Specdb::MsMs 3045388 Specdb::MsMs 3045389 Specdb::MsMs 3045390 Specdb::MsMs 3095191 Specdb::MsMs 3095192 Specdb::MsMs 3095193 HMDB34969 #<Reference:0x000055ce32bd53e8> Cornmint Type 1 specific Mentha arvensis 292239 Herbs and Spices Unknown generic