Basic information
- CAS
827342-52-9- Standard SMILES
C[C@H]1C[C@@]1(C#N)C(C)(C)C- InChIKey
LHTZMCJWQCZSGK-CBAPKCEASA-N- Molecular formula
- C9H15N
- Average molar mass
- 137.22 g/mol
- Monoisotopic mass
- 137.12044948
Names & identifiers
- Preferred name
- (1S,2S)-1-tert-butyl-2-methylcyclopropane-1-carbonitrile
- IUPAC
- cis-(1S,2S)-1-tert-butyl-2-methylcyclopropane-1-carbonitrile
Names & synonyms
(1S,2S)-1-tert-butyl-2-methylcyclopropane-1-carbonitrile827342-52-9DTXSID60836807
Database identifiers
- CAS
827342-52-9- PubChem CID
- 71417469
- DTXSID
DTXSID60836807- Nikkaji
- J2.141.985K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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