1-Penten-3-one, 1-chloro-4,4-dimethyl-
Basic information
- CAS
15851-74-8- Standard SMILES
CC(C)(C)C(=O)C=CCl- InChIKey
SWRGXGUWAIPLSI-UHFFFAOYSA-N- Molecular formula
- C7H11ClO
- Average molar mass
- 146.61 g/mol
- Monoisotopic mass
- 146.0498427
Names & identifiers
- Preferred name
- 1-Penten-3-one, 1-chloro-4,4-dimethyl-
- IUPAC
- 1-chloro-4,4-dimethylpent-1-en-3-one
Names & synonyms
15851-74-81-chloro-4,4-dimethylpent-1-en-3-one1-Penten-3-one, 1-chloro-4,4-dimethyl-t-butyl 2-chlorovinyl ketoneSCHEMBL11502667DTXSID60337864
Database identifiers
- CAS
15851-74-8- PubChem CID
- 545179
- DTXSID
DTXSID60337864
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…