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Pinocarveol, trans-(-)-

PubChem CID: 1201530

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Compound Synonyms (-)-trans-Pinocarveol, 547-61-5, l-Pinocarveol, trans-(-)-Pinocarveol, L-trans-Pinocarveol, Pinocarveol, trans-(-)-, UNII-Q1Q22IWX84, (1S)-(-)-trans-Pinocarveol, Q1Q22IWX84, (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol, EINECS 208-927-4, CHEBI:83263, FEMA NO. 3587, TRANS-(-)-, (E)-Pinocarveol, BICYCLO(3.1.1)HEPTAN-3-OL, 6,6-DIMETHYL-2-METHYLENE-, (1S,3R,5S)-, Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, (1S-(1alpha,3alpha,5alpha))-, 2(10)-Pinen-3-ol, (1S,3R,5S)-(-)-, (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptan-3-ol, L-(E)-PINOCARVEOL, SCHEMBL891743, DTXSID201314810, BICYCLO(3.1.1)HEPTAN-3-OL, 6,6-DIMETHYL-2-METHYLENE-, (1S-(1.ALPHA.,3.ALPHA.,5.ALPHA.))-, AKOS030502712, (1S-(1alpha,3alpha,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol, SMP2_000270, FP172829, Q27156713, (-)-trans-Pinocarveol, >=96.0% (sum of enantiomers, GC), 6,6-DIMETHYL-2-METHYLENE-(1S-(1alpha,3alpha,5alpha))-BICYCLO(3.1.1)HEPTAN-3-OL, 208-927-4, 6,6-DIMETHYL-2-METHYLENE-(1S-(1.ALPHA.,3.ALPHA.,5.ALPHA.))-BICYCLO(3.1.1)HEPTAN-3-OL
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CC1C2
Np Classifier Class Pinane monoterpenoids
Deep Smiles C=C[C@H]O)C[C@@H]C[C@H]6C4C)C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level CC1CCC2CC1C2
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 205.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1S,3R,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 1.8
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level C=C1CCC2CC1C2
Prediction Swissadme 0.0
Inchi Key LCYXQUJDODZYIJ-DJLDLDEBSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.265
Rotatable Bond Count 0.0
State Liquid
Logd 2.357
Synonyms (-)-trans-2(10)-Pinen-3-ol, (1S)-(-)-trans-Pinocarveol, (1S,3R,5S)-(-)-2(10)-Pinen-3-ol, L-Pinocarveol, L-trans-Pinocarveol, trans-(-)-Pinocarveol, 10-Pinen-3-ol, 2(10)-Pinen-3-ol, 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol, Pinocarveole, trans-2(10)-Pinen-3-ol, (±)-trans-Pinocarveol, e-pinocarveol
Esol Class Very soluble
Functional Groups C=C(C)C, CO
Compound Name Pinocarveol, trans-(-)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -1.9115693999999996
Inchi InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
Smiles CC1([C@H]2C[C@@H]1C(=C)[C@@H](C2)O)C
Nring 3.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids