Basic information
- CAS
22319-29-5- Standard SMILES
CCC(CC)=C(C)C(=O)C(C)C- InChIKey
QWVSTESIRURVHK-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 5-Ethyl-2,4-dimethyl-4-hepten-3-one
- IUPAC
- 5-ethyl-2,4-dimethylhept-4-en-3-one
- English name
- 5-Ethyl-2,4-dimethyl-4-hepten-3-one
- Molecular weight
- 0
Names & synonyms
5-Ethyl-2,4-dimethyl-4-hepten-3-one22319-29-5DTXSID10337738RefChem:302918DTXCID402888255-ethyl-2,4-dimethylhept-4-en-3-one4-Hepten-3-one, 5-ethyl-2,4-dimethyl-QWVSTESIRURVHK-UHFFFAOYSA-N5-Ethyl-2,4-dimethyl-4-hepten-3-one #
Database identifiers
- CAS
22319-29-5- PubChem CID
- 544337
- DTXSID
DTXSID10337738- Nikkaji
- J100.308I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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