Basic information
- CAS
49833-96-7- Standard SMILES
CCC(=CC(=O)C(C)C)CC- InChIKey
UVQXYCRUJXLCFT-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 5-Ethyl-2-methyl-4-hepten-3-one
- IUPAC
- 5-ethyl-2-methylhept-4-en-3-one
- English name
- 5-Ethyl-2-methyl-4-hepten-3-one
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
5-ETHYL-2-METHYL-4-HEPTEN-3-ONE49833-96-7DTXSID10198104RefChem:302935DTXCID001205955-ethyl-2-methylhept-4-en-3-one4-Hepten-3-one, 5-ethyl-2-methyl-
Database identifiers
- CAS
49833-96-7- PubChem CID
- 39555
- DTXSID
DTXSID10198104- Nikkaji
- J119.559J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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