(1R2R,3S,5R)-(-)-Pinanediol | SBID = 180 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 40.5
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 4.0
3D Volume/Å3: 136.9
Sum Formula: C10H18O2
M / g/mol: 170.252
Complexity: 212.0
Number of Conformers: 2.0

Identifiers

  • Tags: alcohol
  • Name: (1R2R,3S,5R)-(-)-Pinanediol
  • Preferred Abbreviation: (1R2R,3S,5R)-(-)-Pinanediol
  • IUPAC Name: (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
  • CAS: 22422-34-0
  • CID: 6553875
  • InChiKey: MOILFCKRQFQVFS-BDNRQGISSA-N
  • InChi: InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
  • CanoSmiles: CC1(C2CC1C(C(C2)O)(C)O)C
  • IsoSmiles: C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)O