Basic information
- CAS
32064-71-4- Standard SMILES
CCCCC=C(CCCC)C(C)=O- InChIKey
UAETWNBRKDGHSH-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 3-Butyl-3-octen-2-one
- IUPAC
- 3-butyloct-3-en-2-one
- English name
- 3-Butyl-3-octen-2-one
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
3-Butyl-3-octen-2-one32064-71-43-Butyloct-3-en-2-oneDTXSID903368803-Octen-2-one, 3-butyl-
Database identifiers
- CAS
32064-71-4- PubChem CID
- 537010
- DTXSID
DTXSID90336880
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 260.1 · 260.1±9.0 °C(Predicted)
- Density
- 0.839 · 0.839±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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