1.0 2010-04-08 22:12:02 UTC 2018-05-29 01:21:46 UTC FDB015760 alpha-Santalal Constituent of sandalwood oil (Santalum album) a-Santal-10-en-12-al a-Santalal C15H22O 218.3346 218.167065326 (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-enal (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-enal 59331-83-8 C\C(C=O)=C\CCC1(C)C2CC3C(C2)C13C InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5- SHEUEEZGXLCROM-YHYXMXQVSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homopolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Santalane sesquiterpenoid Sesquiterpenoid logp 4.12 ALOGPS logs -4.84 ALOGPS solubility 3.19e-03 g/l ALOGPS logp 3.13 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2Z)-5-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}-2-methylpent-2-enal ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles C\C(C=O)=C\CCC1(C)C2CC3C(C2)C13C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5- ChemAxon inchikey SHEUEEZGXLCROM-YHYXMXQVSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.49 ChemAxon polarizability 26.18 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24799 Specdb::CMs 173458 Specdb::MsMs 93936 Specdb::MsMs 93937 Specdb::MsMs 93938 Specdb::MsMs 157812 Specdb::MsMs 157813 Specdb::MsMs 157814 Specdb::MsMs 2710700 Specdb::MsMs 2710701 Specdb::MsMs 2710702 Specdb::MsMs 2995097 Specdb::MsMs 2995098 Specdb::MsMs 2995099 HMDB36813 #<Reference:0x000055ce32c5bf38>