2-Chloro-1-cyclobutyl-2,3-dimethylbut-3-en-1-one
Basic information
- CAS
131353-07-6- Standard SMILES
C=C(C)C(C)(Cl)C(=O)C1CCC1- InChIKey
NJHWQWRNZFCQTG-UHFFFAOYSA-N- Molecular formula
- C10H15ClO
- Average molar mass
- 186.68 g/mol
- Monoisotopic mass
- 186.0811428
Names & identifiers
- Preferred name
- 2-Chloro-1-cyclobutyl-2,3-dimethylbut-3-en-1-one
- IUPAC
- 2-chloro-1-cyclobutyl-2,3-dimethylbut-3-en-1-one
- English name
- 3-Buten-1-one, 2-chloro-1-cyclobutyl-2,3-dimethyl- (9CI)
- Molecular formula
- C10H15ClO
- Molecular weight
- 186.68
Names & synonyms
131353-07-62-chloro-1-cyclobutyl-2,3-dimethylbut-3-en-1-one3-Buten-1-one, 2-chloro-1-cyclobutyl-2,3-dimethyl- (9CI)DTXSID80564271DB-2828613-BUTEN-1-ONE, 2-CHLORO-1-CYCLOBUTYL-2,3-DIMETHYL-
Database identifiers
- CAS
131353-07-6- PubChem CID
- 14809986
- DTXSID
DTXSID80564271- Nikkaji
- J370.765B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 252.6 · 252.6±20.0 °C(Predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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