1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:31 UTC FDB012746 xi-3-Methyl-3-cyclohexen-1-ol Constituent of oil of Thymus vulgaris (thyme). xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices. C7H12O 112.1696 112.088815006 3-methylcyclohex-3-en-1-ol 3-methylcyclohex-3-en-1-ol CC1=CCCC(O)C1 InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3 HKVFKEJBSWJQMU-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Hydrocarbon derivatives Aliphatic homomonocyclic compound Hydrocarbon derivative Secondary alcohol logp 1.34 ALOGPS logs -0.58 ALOGPS solubility 2.94e+01 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_acidic 18.34 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 3-methylcyclohex-3-en-1-ol ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CC1=CCCC(O)C1 ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h3,7-8H,2,4-5H2,1H3 ChemAxon inchikey HKVFKEJBSWJQMU-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 34.67 ChemAxon polarizability 13.27 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6581 Specdb::MsIr 6582 Specdb::MsIr 6583 Specdb::NmrOneD 126058 Specdb::NmrOneD 126059 Specdb::NmrOneD 126060 Specdb::NmrOneD 126061 Specdb::NmrOneD 126062 Specdb::NmrOneD 126063 Specdb::NmrOneD 126064 Specdb::NmrOneD 126065 Specdb::NmrOneD 126066 Specdb::NmrOneD 126067 Specdb::NmrOneD 126068 Specdb::NmrOneD 126069 Specdb::NmrOneD 126070 Specdb::NmrOneD 126071 Specdb::NmrOneD 126072 Specdb::NmrOneD 126073 Specdb::NmrOneD 126074 Specdb::NmrOneD 126075 Specdb::NmrOneD 126076 Specdb::NmrOneD 126077 Specdb::CMs 21553 Specdb::CMs 43846 Specdb::CMs 137049 Specdb::CMs 144783 Specdb::MsMs 51147 Specdb::MsMs 51148 Specdb::MsMs 51149 Specdb::MsMs 158814 Specdb::MsMs 158815 Specdb::MsMs 158816 Specdb::MsMs 2683821 Specdb::MsMs 2683822 Specdb::MsMs 2683823 Specdb::MsMs 3021999 Specdb::MsMs 3022000 Specdb::MsMs 3022001 HMDB34372 #<Reference:0x000055ce320becc0> Herbs and Spices Unknown generic