Basic information
- CAS
82508-64-3- Standard SMILES
C#CC12CCC(C)(C(=O)C1)C2(C)C- InChIKey
PNOWYPQBDXJGJI-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- IUPAC
- 4-ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Names & synonyms
4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one82508-64-3SCHEMBL6706608DTXSID00339746PNOWYPQBDXJGJI-UHFFFAOYSA-NBicyclo[2.2.1]heptan-2-one, 4-ethynyl-1,7,7-trimethyl-4-Ethynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one #
Database identifiers
- CAS
82508-64-3- PubChem CID
- 558237
- DTXSID
DTXSID00339746
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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