(3aalpha,4alpha,5alpha,7alpha,7aalpha)-Octahydro-4,7-methano-1H-inden-5-ol

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Basic information

CAS: 10271-45-1
Standard SMILES: O[C@@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@H]21
InChIKey: FKZJBAXKHJIQDU-LOLPMWEVSA-N
Molecular formula: C10H16O
Average molar mass: 152.23 g/mol
Monoisotopic mass: 152.12011513

Names & identifiers

Preferred name: (3aalpha,4alpha,5alpha,7alpha,7aalpha)-Octahydro-4,7-methano-1H-inden-5-ol
IUPAC: (1S,2R,6R,7S,8R)-tricyclo[5.2.1.02,6]decan-8-ol
English name: (3aalpha,4alpha,5alpha,7alpha,7aalpha)-octahydro-4,7-methano-1H-inden-5-ol
Molecular formula: C10H16O
Molecular weight: 152.23

Names & synonyms

10271-45-1(3aalpha,4alpha,5alpha,7alpha,7aalpha)-Octahydro-4,7-methano-1H-inden-5-olrel-(3aR,4S,5R,7S,7aR)-Octahydro-4,7-methano-1H-inden-5-olEINECS 233-611-8(1S,2R,6R,7S,8R)-tricyclo[5.2.1.02,6]decan-8-ol872AGX8NA9DTXSID601194743endo-5,6-Trimethylene-exo-2-norbornanol4,7-Methanoindan-5-ol, hexahydro-, exo,endo-(3aR,4S,5R,7S,7aR)-Octahydro-1H-4,7-methanoinden-5-olOctahydro-4,7-methano-1H-inden-5-ol, (3aR,4S,5R,7S,7aR)-rel-4,7-Methano-1H-inden-5-ol, octahydro-, (3aR,4S,5R,7S,7aR)-rel-

Show more names

4,7-Methano-1H-inden-5-ol, octahydro-, (3aalpha,4alpha,5alpha,7alpha,7aalpha)-

Database identifiers

CAS: 10271-45-1
PubChem CID: 112096
DTXSID: DTXSID601194743
UNII: 872AGX8NA9
EC Number: 233-611-8
Nikkaji: J245.629J

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 255.2 · 255.2±8.0 °C(Predicted)
Density: 1.115 · 1.115±0.06 g/cm3(Predicted)
pka: 15.06 · 15.06±0.20(Predicted)

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Compound notes

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