Basic information
- CAS
138512-75-1- Standard SMILES
CC(=O)[C@@H]1C[C@H](CC#N)C1(C)C- InChIKey
VILTYDDIGXXGBZ-IUCAKERBSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- (1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrile
- IUPAC
- 2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
- English name
- Cyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)
- Molecular formula
- C10H15NO
- Molecular weight
- 165.2322
Names & synonyms
138512-75-1(1R,3R)-3-Acetyl-2,2-dimethylcyclobutaneacetonitrileRefChem:2050542-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrileCyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)DTXSID201218949[(1R,3R)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrile
Database identifiers
- CAS
138512-75-1- PubChem CID
- 768682
- DTXSID
DTXSID201218949- Nikkaji
- J932.288D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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