1.0 2011-05-09 16:27:12 UTC 2015-07-21 06:56:29 UTC FDB021837 (3S,6E)-Nerolidol An isomer of nerolidol, a naturally occurring sesquiterpene found in the essential oils of many types of plants and flowers [Wikipedia] (+)-trans-Nerolidol (3S)-(E)-Nerolidol (3S)-trans-Nerolidol (S,E)-Nerolidol (S)-(+)-trans-Nerolidol (S)-trans-Nerolidol 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)- 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-(S)-(+)- (8CI) 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(E)]- 3,7,11-Trimethyl-(3S,6e)-1,6,10-dodecatrien-3-ol 3,7,11-Trimethyl-[S-(e)]-1,6,10-dodecatrien-3-ol trans-(+)-Nerolidol C13H22O 194.3132 194.167065326 (3S,6E)-3,7-dimethylundeca-1,6,10-trien-3-ol (3S,6E)-3,7-dimethylundeca-1,6,10-trien-3-ol 1119-38-6 C\C(CCC=C)=C/CC[C@](C)(O)C=C InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+/t13-/m1/s1 JIFKIUVSUFVKTE-RSKUSDAESA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Hydrocarbon derivatives Tertiary alcohols Acyclic monoterpenoid Alcohol Aliphatic acyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol logp 4.05 ALOGPS logs -3.73 ALOGPS solubility 3.65e-02 g/l ALOGPS logp 3.68 ChemAxon pka_strongest_acidic 18.46 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (3S,6E)-3,7-dimethylundeca-1,6,10-trien-3-ol ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles C\C(CCC=C)=C/CC[C@](C)(O)C=C ChemAxon formula C13H22O ChemAxon inchi InChI=1S/C13H22O/c1-5-7-9-12(3)10-8-11-13(4,14)6-2/h5-6,10,14H,1-2,7-9,11H2,3-4H3/b12-10+/t13-/m1/s1 ChemAxon inchikey JIFKIUVSUFVKTE-RSKUSDAESA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 64.05 ChemAxon polarizability 24.22 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10112 Specdb::CMs 47418 Specdb::CMs 103778 Specdb::MsMs 288340 Specdb::MsMs 288341 Specdb::MsMs 288342 Specdb::MsMs 327421 Specdb::MsMs 327422 Specdb::MsMs 327423 HMDB41629 59958