Basic information
- CAS
56914-95-5- Standard SMILES
OC[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21- InChIKey
HSPRVWPULGKMRC-ORMBPQIASA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 4,7-Methano-1H-indene-5-methanol, octahydro-, (3aalpha,4beta,5beta,7beta,7aalpha)-
- IUPAC
- [(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
Names & synonyms
UNII-X7278809BDEINECS 260-429-6X7278809BD(3aalpha,4beta,5beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene-5-methanol56914-95-54,7-Methano-1H-indene-5-methanol, octahydro-, (3a.alpha.,4.beta.,5.beta.,7.beta.,7a.alpha.)-4,7-Methano-1H-indene-5-methanol, octahydro-, (3aalpha,4beta,5beta,7beta,7aalpha)-RefChem:1985114,7-Methano-1H-indene-5-methanol, octahydro-, (3aR,4R,5S,7R,7aR)-rel-HSPRVWPULGKMRC-ORMBPQIASA-NNS00086923Q27293622
Database identifiers
- CAS
56914-95-5- PubChem CID
- 92563
- UNII
- X7278809BD
- EC Number
- 260-429-6
- Nikkaji
- J264.896B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 4,7-Methano-1H-indene-5-methanol, octahydro-, (3a.alpha.,4.beta.,5.beta.,7.beta.,7a.alpha.)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4,7-Methano-1H-indene-5-methanol, octahydro-, (3aR,4R,5S,7R,7aR)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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