1.0 2010-04-08 22:09:48 UTC 2025-11-18 23:30:38 UTC FDB011739 1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one Constituent of Foeniculum vulgare (fennel). 1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one is found in herbs and spices. 1,3-Bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one 9,10-Dihydroxyfenchone C10H16O3 184.235 184.109944375 1,3-bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one 1,3-bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one 240495-77-6 CC1(CO)C2CCC(CO)(C2)C1=O InChI=1S/C10H16O3/c1-9(5-11)7-2-3-10(4-7,6-12)8(9)13/h7,11-12H,2-6H2,1H3 SJGVIHKTOWKNQQ-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Hydrocarbon derivatives Ketones Organic oxides Primary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Fenchane monoterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 0.20 ALOGPS logs -0.39 ALOGPS solubility 7.49e+01 g/l ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 14.65 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1,3-bis(hydroxymethyl)-3-methylbicyclo[2.2.1]heptan-2-one ChemAxon average_mass 184.235 ChemAxon mono_mass 184.109944375 ChemAxon smiles CC1(CO)C2CCC(CO)(C2)C1=O ChemAxon formula C10H16O3 ChemAxon inchi InChI=1S/C10H16O3/c1-9(5-11)7-2-3-10(4-7,6-12)8(9)13/h7,11-12H,2-6H2,1H3 ChemAxon inchikey SJGVIHKTOWKNQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 48.09 ChemAxon polarizability 19.72 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 49740 Specdb::MsMs 49741 Specdb::MsMs 49742 Specdb::MsMs 171357 Specdb::MsMs 171358 Specdb::MsMs 171359 Specdb::MsMs 3605263 Specdb::MsMs 3605264 Specdb::MsMs 3605265 Specdb::MsMs 3605266 Specdb::MsMs 3605267 Specdb::MsMs 3605268 Herbs and Spices Unknown generic