(1S,2D,5S)-(-)-2-Hydroxy-3-pinanone | SBID = 127 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 37.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.2
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 3.0
3D Volume/Å3: 134.6
Sum Formula: C10H16O2
M / g/mol: 168.236
Complexity: 244.0
Number of Conformers: 1.0

Identifiers

  • Tags: alcohol
  • Name: (1S,2D,5S)-(-)-2-Hydroxy-3-pinanone
  • Preferred Abbreviation: (1S,2D,5S)-(-)-2-Hydroxy-3-pinanone
  • IUPAC Name: (1S,2S,5S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
  • CAS: 1845-25-6
  • CID: 11126668
  • InChiKey: VZRRCQOUNSHSGB-BYULHYEWSA-N
  • InChi: InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m0/s1
  • CanoSmiles: CC1(C2CC1C(C(=O)C2)(C)O)C
  • IsoSmiles: C[C@@]1([C@H]2C[C@H](C2(C)C)CC1=O)O