1.0 2010-04-08 22:12:21 UTC 2019-11-26 03:13:00 UTC FDB016303 5(1->10)-Abeo-1,12-patchoulanediol Constituent of Pogostemon cablin (patchouli). 5(1->10)-Abeo-1,12-patchoulanediol is found in herbs and spices. C15H26O2 238.3657 238.193280076 (1R,3S,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.0³,⁸]undecan-3-ol (1R,3S,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.0³,⁸]undecan-3-ol [H][C@@]12C[C@H]3CC[C@]1(C)[C@](O)(CC[C@@H]2CO)C3(C)C InChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1 RTSORXBIZDRAMP-MUGBGTHKSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Primary alcohol Tertiary alcohol logp 2.87 ALOGPS logs -3.08 ALOGPS solubility 1.99e-01 g/l ALOGPS melting_point Mp 132.5-133° logp 2.14 ChemAxon pka_strongest_acidic 18 ChemAxon pka_strongest_basic 0.3 ChemAxon iupac (1R,3S,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.0³,⁸]undecan-3-ol ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles [H][C@@]12C[C@H]3CC[C@]1(C)[C@](O)(CC[C@@H]2CO)C3(C)C ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15+/m1/s1 ChemAxon inchikey RTSORXBIZDRAMP-MUGBGTHKSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 68.07 ChemAxon polarizability 28.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25073 Specdb::CMs 45298 Specdb::CMs 133711 Specdb::CMs 141445 Specdb::MsMs 55716 Specdb::MsMs 55717 Specdb::MsMs 55718 Specdb::MsMs 110925 Specdb::MsMs 110926 Specdb::MsMs 110927 Specdb::MsMs 2340531 Specdb::MsMs 2340532 Specdb::MsMs 2340533 Specdb::MsMs 2625401 Specdb::MsMs 2625402 Specdb::MsMs 2625403 HMDB37284 #<Reference:0x000055ce32f814b0> Herbs and Spices Unknown generic