1.0 2010-04-08 22:12:10 UTC 2018-05-29 01:24:04 UTC FDB015992 gamma-Diosphenol Constituent of Agathosma betulina leaf oil (buchu) 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)- 2-Hydroxy-3-(isopropyl)-6-methylcyclohex-2-en-1-one 2-Hydroxy-3-isopropyl-6-methyl-2-cyclohexen-1-one 2-Hydroxy-6-methyl-3-(1-methylethyl)-2-cyclohexen-1-one 2-Hydroxy-6-methyl-3-(1-methylethyl)-2-cyclohexen-1-one, 9CI Pseudodiosphenol y-Diosphenol C10H16O2 168.2328 168.115029756 2-hydroxy-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-one 2-hydroxy-3-isopropyl-6-methylcyclohex-2-en-1-one 54783-36-7 CC(C)C1=C(O)C(=O)C(C)CC1 InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3 POVACFJTDXZOQT-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 Cyclohexenones Enols Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Enol Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 1.59 ALOGPS logs -1.48 ALOGPS solubility 5.59e+00 g/l ALOGPS melting_point Mp 34.5° logp 2.49 ChemAxon pka_strongest_acidic 9.49 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-hydroxy-6-methyl-3-(propan-2-yl)cyclohex-2-en-1-one ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC(C)C1=C(O)C(=O)C(C)CC1 ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3 ChemAxon inchikey POVACFJTDXZOQT-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 49.31 ChemAxon polarizability 18.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9760 Specdb::CMs 45179 Specdb::CMs 166288 Specdb::NmrOneD 138310 Specdb::NmrOneD 138311 Specdb::NmrOneD 138312 Specdb::NmrOneD 138313 Specdb::NmrOneD 138314 Specdb::NmrOneD 138315 Specdb::NmrOneD 138316 Specdb::NmrOneD 138317 Specdb::NmrOneD 138318 Specdb::NmrOneD 138319 Specdb::NmrOneD 138320 Specdb::NmrOneD 138321 Specdb::NmrOneD 138322 Specdb::NmrOneD 138323 Specdb::NmrOneD 138324 Specdb::NmrOneD 138325 Specdb::NmrOneD 138326 Specdb::NmrOneD 138327 Specdb::NmrOneD 138328 Specdb::NmrOneD 138329 Specdb::MsIr 7351 Specdb::MsIr 7352 Specdb::MsIr 7353 Specdb::MsMs 62988 Specdb::MsMs 62989 Specdb::MsMs 62990 Specdb::MsMs 119841 Specdb::MsMs 119842 Specdb::MsMs 119843 Specdb::MsMs 2713759 Specdb::MsMs 2713760 Specdb::MsMs 2713761 Specdb::MsMs 2965107 Specdb::MsMs 2965108 Specdb::MsMs 2965109 HMDB37014 #<Reference:0x000055ce31e775e8>