1.0 2010-04-08 22:05:42 UTC 2025-11-18 22:48:47 UTC FDB003215 Tricycloekasantal Constituent of the oil of Santalum album (sandalwood). Tricycloekasantal C12H18O 178.2707 178.135765198 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propanal 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propanal 16933-18-9 CC12C3CC(CC13)C2(C)CCC=O InChI=1S/C12H18O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h5,8-10H,3-4,6-7H2,1-2H3 GBXFUOBZYUTFOP-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 Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Alpha-hydrogen aldehyde Bornane monoterpenoid Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 3.16 ALOGPS logs -4.26 ALOGPS solubility 9.72e-03 g/l ALOGPS logp 1.85 ChemAxon pka_strongest_acidic 15.11 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propanal ChemAxon average_mass 178.2707 ChemAxon mono_mass 178.135765198 ChemAxon smiles CC12C3CC(CC13)C2(C)CCC=O ChemAxon formula C12H18O ChemAxon inchi InChI=1S/C12H18O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h5,8-10H,3-4,6-7H2,1-2H3 ChemAxon inchikey GBXFUOBZYUTFOP-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 51.83 ChemAxon polarizability 20.99 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22942 Specdb::CMs 159533 Specdb::MsMs 82404 Specdb::MsMs 82405 Specdb::MsMs 82406 Specdb::MsMs 143760 Specdb::MsMs 143761 Specdb::MsMs 143762 Specdb::MsMs 2815954 Specdb::MsMs 2815955 Specdb::MsMs 2815956 Specdb::MsMs 2892344 Specdb::MsMs 2892345 Specdb::MsMs 2892346 HMDB31194 #<Reference:0x000055ce31bca610>