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(-)-cis-Sabinol

PubChem CID: 42626427

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Compound Synonyms (-)-cis-Sabinol, CHEBI:18481, (1R,3R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol, 4(10)-Thujen-3-ol, stereoisomer, 4(10)-Thujen-3-ol, 1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol-, (1.alpha.,3.alpha.,5.alpha.)-, Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1.alpha.,3.alpha.,5.alpha.)-, Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1R,3R,5R)-rel-(-)-, (1R,3R,5R)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol, (1R,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol, (1R,3R,5R)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-ol, Bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1R,3R,5R)-rel-(-)-, (1R,3R,5R)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-ol, LMPR0102060020, Q27109033, 1-Isopropyl-4-methylenebicyclo(3.1.0)hexan-3-ol-, (1alpha,3alpha,5alpha)-, Bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1alpha,3alpha,5alpha)-
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 11.0
Isotope Atom Count 0.0
Molecular Complexity 207.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (1R,3R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Prediction Hob 1.0
Xlogp 1.8
Molecular Formula C10H16O
Prediction Swissadme 1.0
Inchi Key MDFQXBNVOAKNAY-IVZWLZJFSA-N
Fcsp3 0.8
Logs -2.185
Rotatable Bond Count 1.0
Logd 1.706
Compound Name (-)-cis-Sabinol
Prediction Hob Swissadme 1.0
Exact Mass 152.12
Formal Charge 0.0
Monoisotopic Mass 152.12
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 152.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Esol -1.8455693999999996
Inchi InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9+,10+/m0/s1
Smiles CC(C)[C@]12C[C@H]1C(=C)[C@@H](C2)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients