4-Ethylheptan-3-one
Basic information
- CAS
6137-16-2- Standard SMILES
CCCC(CC)C(=O)CC- InChIKey
NUXBVHVQVWGZIT-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 4-Ethylheptan-3-one
- IUPAC
- 4-ethylheptan-3-one
Names & synonyms
4-Ethylheptan-3-one6137-16-2SCHEMBL7598232DTXSID00591423
Database identifiers
- CAS
6137-16-2- PubChem CID
- 17875010
- DTXSID
DTXSID00591423
Properties
Computed structural properties
- 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
- 96.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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