1.0 2010-04-08 22:07:06 UTC 2025-11-18 23:01:38 UTC FDB006340 cis-Sabinene hydrate acetate Cis-sabinene hydrate acetate is also known as cis-sabinene hydric acid acetic acid. Cis-sabinene hydrate acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-sabinene hydrate acetate can be found in sweet marjoram, which makes cis-sabinene hydrate acetate a potential biomarker for the consumption of this food product. (z)-sabinene hydrate acetate Sabinene acetate hydrate (cis) C12H20O2 196.29 196.146329884 (2R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-yl acetate (2R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-yl acetate [H]C12C[C@@]1(CC[C@@]2(C)OC(C)=O)C(C)C InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10?,11-,12+/m1/s1 MYCFGFMJUUNKBN-SAIIYOCFSA-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Thujane monoterpenoid logp 2.95 ALOGPS logs -3.56 ALOGPS solubility 5.42e-02 g/l ALOGPS logp 2.33 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-yl acetate ChemAxon average_mass 196.29 ChemAxon mono_mass 196.146329884 ChemAxon smiles [H]C12C[C@@]1(CC[C@@]2(C)OC(C)=O)C(C)C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10?,11-,12+/m1/s1 ChemAxon inchikey MYCFGFMJUUNKBN-SAIIYOCFSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.71 ChemAxon polarizability 22.77 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107970 Specdb::MsMs 107971 Specdb::MsMs 107972 Specdb::MsMs 175074 Specdb::MsMs 175075 Specdb::MsMs 175076 Specdb::MsMs 3602837 Specdb::MsMs 3602838 Specdb::MsMs 3602839 Specdb::MsMs 3602840 Specdb::MsMs 3602841 Specdb::MsMs 3602842 Sweet marjoram Type 1 specific Origanum majorana 268884