9-carboxytriamantane | SBID = 1062 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
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):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C19H24O2
M / g/mol: 284.39266
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 9-carboxytriamantane
  • Preferred Abbreviation: 9-carboxytriamantane
  • IUPAC Name:
  • CAS:
  • CID: -336
  • InChiKey: LYQJXXVOGRKPCK-UHFFFAOYSA-N
  • InChi: InChI=1S/C19H24O2/c20-17(21)18-5-13-10-3-9-11-1-8-2-12(9)16(14(10)6-18)19(4-8,7-18)15(11)13/h8-16H,1-7H2,(H,20,21)
  • CanoSmiles: OC(=O)[C@]12C[C@@H]3[C@@H]4[C@H](C1)C1C5(C2)C3[C@@H]2[C@H](C4)[C@H]1C[C@H](C5)C2
  • IsoSmiles: O=C([C@@]1(C2)C[C@H]3C4C5(C[C@H]6C[C@@H]7[C@H]([C@@H]4C6)C[C@H]3[C@H]2C57)C1)O