3,9-Dihydroxytriamantane | SBID = 2207 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 7
PubChem TPSA/Å2:
Ertl TPSA/Å2: 40.46
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.09
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H24O2
M / g/mol: 272.38196
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 3,9-Dihydroxytriamantane
  • Preferred Abbreviation: 3,9-Dihydroxytriamantane
  • IUPAC Name:
  • CAS:
  • CID: -976
  • InChiKey: CCHPJXJPWVSWSN-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H24O2/c19-16-5-11-9-2-13-10-1-8-3-17(7-16,14(10)11)15(12(9)6-16)18(13,20)4-8/h8-15,19-20H,1-7H2
  • CanoSmiles: O[C@]12C[C@@H]3[C@@H]4[C@H](C1)C1C5(C2)C3[C@@H]2[C@H](C4)[C@@]1(O)C[C@H](C5)C2
  • IsoSmiles: O[C@@]1(C2)C[C@H]3C4C5(C[C@H]6C[C@]7(O)[C@H]([C@@H]4C6)C[C@H]3[C@H]2C57)C1