Basic information
- CAS
6329-00-6- Standard SMILES
C#CC(O)(CC)C1CC2C=CC1C2- InChIKey
XFVFCOBBHGSMML-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 3-(Bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol
- IUPAC
- 3-(2-bicyclo[2.2.1]hept-5-enyl)pent-1-yn-3-ol
Names & synonyms
3-(bicyclo[2.2.1]hept-5-en-2-yl)pent-1-yn-3-ol6329-00-6NSC44027DTXSID70286172NSC-44027
Database identifiers
- CAS
6329-00-6- PubChem CID
- 239190
- DTXSID
DTXSID70286172
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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