1-Adamantane acetate potassium salt | SBID = 1598 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H17KO2
M / g/mol: 232.36048
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 1-Adamantane acetate potassium salt
  • Preferred Abbreviation: 1-Adamantane acetate
  • IUPAC Name:
  • CAS:
  • CID: -636
  • InChiKey: KGPOHEGJOWTNSQ-UHFFFAOYSA-M
  • InChi: InChI=1S/C12H18O2.K/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,13,14);/q;+1/p-1
  • CanoSmiles: [O-]C(=O)CC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3.[K+]
  • IsoSmiles: [O-]C(CC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3)=O.[K+]