1.0 2020-04-02 17:51:59 UTC 2025-11-19 03:07:54 UTC FDB097356 Sabinene-hydrate (trans) C59H102O6 907.459 906.767641004 (1R,2R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol (1R,2R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,37-35-,46-43-/t56-/m0/s1 VUUDLKGZZONILP-IAONHBMLSA-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol Thujane monoterpenoid logp 2.12 ALOGPS logs -2.28 ALOGPS solubility 8.10e-01 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac (1R,2R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol ChemAxon average_mass 907.459 ChemAxon mono_mass 906.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C59H102O6 ChemAxon inchi InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28,30-31,35,37,43,46,56H,4-6,8-9,11-15,17-18,20-24,26-27,29,32-34,36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,37-35-,46-43-/t56-/m0/s1 ChemAxon inchikey VUUDLKGZZONILP-IAONHBMLSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.55 ChemAxon polarizability 18.68 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5601 Specdb::MsMs 239869 Specdb::MsMs 239870 Specdb::MsMs 239871 Specdb::MsMs 241924 Specdb::MsMs 241925 Specdb::MsMs 241926 Milk (Cow) Type 2 specific 13.83625 85.0 0.25 uM Sweet marjoram Type 1 specific Origanum majorana 268884