3-Chloro-2-methyl-2-pentenal
Basic information
- CAS
1679-39-6- Standard SMILES
CCC(Cl)=C(C)C=O- InChIKey
XVBAOJCDXBMWMR-UHFFFAOYSA-N- Molecular formula
- C6H9ClO
- Average molar mass
- 132.59 g/mol
- Monoisotopic mass
- 132.0341926
Names & identifiers
- Preferred name
- 3-Chloro-2-methyl-2-pentenal
- IUPAC
- 3-chloro-2-methylpent-2-enal
Names & synonyms
3-chloro-2-methyl-2-pentenal3-chloro-2-methylpent-2-enal31357-75-2SCHEMBL6954474DTXSID60342599XVBAOJCDXBMWMR-UHFFFAOYSA-NAKOS020183603
Database identifiers
- CAS
1679-39-6、31357-75-2- PubChem CID
- 583269
- DTXSID
DTXSID60342599
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 116
Related reactions
1 records
Compound notes
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