1.0 2010-04-08 22:12:12 UTC 2025-11-19 01:41:05 UTC FDB016046 Toxin FS2 Isolated from Fusarium sporotrichioides 1,4-Dimethyl-4-[4-hydroxy-2-(hydroxymethyl)-1-methyl-2-cyclopentenyl]-2-cyclohexen-1-ol FS2 Toxin C15H24O3 252.3493 252.172544634 4-[4-hydroxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-yl]-1,4-dimethylcyclohex-2-en-1-ol 4-[4-hydroxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-yl]-1,4-dimethylcyclohex-2-en-1-ol CC1(CC(O)C=C1CO)C1(C)CCC(C)(O)C=C1 InChI=1S/C15H24O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,12,16-18H,5,7,9-10H2,1-3H3 CMCSZZOVEJFBEY-UHFFFAOYSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Hydrocarbon derivatives Primary alcohols Secondary alcohols Aliphatic homomonocyclic compound Hydrocarbon derivative Primary alcohol Secondary alcohol Tertiary alcohol logp 1.37 ALOGPS logs -2.56 ALOGPS solubility 6.89e-01 g/l ALOGPS logp 0.77 ChemAxon pka_strongest_acidic 14.66 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 4-[4-hydroxy-2-(hydroxymethyl)-1-methylcyclopent-2-en-1-yl]-1,4-dimethylcyclohex-2-en-1-ol ChemAxon average_mass 252.3493 ChemAxon mono_mass 252.172544634 ChemAxon smiles CC1(CC(O)C=C1CO)C1(C)CCC(C)(O)C=C1 ChemAxon formula C15H24O3 ChemAxon inchi InChI=1S/C15H24O3/c1-13(4-6-14(2,18)7-5-13)15(3)9-12(17)8-11(15)10-16/h4,6,8,12,16-18H,5,7,9-10H2,1-3H3 ChemAxon inchikey CMCSZZOVEJFBEY-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 73.61 ChemAxon polarizability 28.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13240 Specdb::CMs 45208 Specdb::CMs 157179 Specdb::MsMs 101061 Specdb::MsMs 101062 Specdb::MsMs 101063 Specdb::MsMs 166566 Specdb::MsMs 166567 Specdb::MsMs 166568 Specdb::MsMs 2329005 Specdb::MsMs 2329006 Specdb::MsMs 2329007 Specdb::MsMs 2634113 Specdb::MsMs 2634114 Specdb::MsMs 2634115 HMDB0037063