3-Cyclopropyl-2-methylbut-2-enal
Basic information
- CAS
60788-22-9- Standard SMILES
CC(C=O)=C(C)C1CC1- InChIKey
BQGRTPMHZOKLOA-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 3-Cyclopropyl-2-methylbut-2-enal
- IUPAC
- 3-cyclopropyl-2-methylbut-2-enal
Names & synonyms
3-Cyclopropyl-2-methylbut-2-enal60788-22-9DTXSID90821584
Database identifiers
- CAS
60788-22-9- PubChem CID
- 71400295
- DTXSID
DTXSID90821584
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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