1-Chloro-trans-1-octen-3-one
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Basic information
- CAS
39198-04-4- Standard SMILES
CCCCCC(=O)/C=C/Cl- InChIKey
YLTBAANDCZGTCR-VOTSOKGWSA-N- Molecular formula
- C8H13ClO
- Average molar mass
- 160.64 g/mol
- Monoisotopic mass
- 160.0654927
Names & identifiers
- Preferred name
- 1-Chloro-trans-1-octen-3-one
- IUPAC
- (E)-1-chlorooct-1-en-3-one
- English name
- 1-Octen-3-one, 1-chloro-, (E)-
- Molecular formula
- C8H13ClO
- Molecular weight
- 160.64122
Names & synonyms
chlorovinyl n-amyl ketoneSCHEMBL88388441-chloro-trans-1-octen-3-oneYLTBAANDCZGTCR-VOTSOKGWSA-N(E)-1-Chlorooct-1-en-3-one(E)-1-Chloro-1-octen-3-one(1E)-1-Chloro-1-octen-3-onetrans-1-Chloro-1-octen-3-one1-Octen-3-one, 1-chloro-, (E)-
Database identifiers
- CAS
39198-04-4- PubChem CID
- 11041003
- Nikkaji
- J2.992.670K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 217 ℃ · 217℃
- Density
- 0.987 · 0.987
- Flash point
- 112 ℃ · 112℃
Related reactions
45 records
Compound notes
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