Basic information
- Standard SMILES
CC(=O)[C@H]1[C@H](C=O)C1(C)C- InChIKey
BCVHTZZZLGUXQL-BQBZGAKWSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- trans-3,3-Dimethyl-2-acetyl-cyclopropanecarbaldehyde
- IUPAC
- cis-(1S,3S)-3-acetyl-2,2-dimethylcyclopropane-1-carbaldehyde
Names & synonyms
SCHEMBL7064506SCHEMBL11136789BCVHTZZZLGUXQL-BQBZGAKWSA-Ntrans-3,3-dimethyl-2-acetyl-cyclopropanecarbaldehydetrans-3,3-dimethyl-2-acetyl-cyclopropane-carbaldehydetrans-3,3-dimethyl-2-acetyl-cyclopropanecarboxaldehyde
Database identifiers
- PubChem CID
- 53675424
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 182
Related reactions
4 records
Compound notes
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