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Basic information
- CAS
121138-93-0- Standard SMILES
CCCC(CC)CC(C)=O- InChIKey
IFLGPEXGQSRERI-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 4-Ethylheptan-2-one
- IUPAC
- 4-ethylheptan-2-one
Names & synonyms
4-ethylheptan-2-one121138-93-0DTXSID10572788RefChem:292645DTXCID805235604-propylhexanoneSCHEMBL2077448SCHEMBL6368837
Database identifiers
- CAS
121138-93-0- PubChem CID
- 15439244
- DTXSID
DTXSID10572788
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- 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
Related reactions
1 records
Compound notes
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