2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
Basic information
- CAS
131488-86-3- Standard SMILES
CC(=O)[C@@H]1C[C@@H](CC#N)C1(C)C- InChIKey
VILTYDDIGXXGBZ-BDAKNGLRSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
- IUPAC
- 2-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrile
- English name
- Cyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1S-trans)- (9CI)
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
131488-86-32-[(1S,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetonitrileCyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1S-trans)- (9CI)DTXSID301184929[(1S,3R)-3-Acetyl-2,2-dimethylcyclobutyl]acetonitrileCyclobutaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1S-trans)-
Database identifiers
- CAS
131488-86-3- PubChem CID
- 768679
- DTXSID
DTXSID301184929
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
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Compound notes
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