Basic information
- CAS
53690-92-9- Standard SMILES
CCCCC1=C(OC)CC(=O)C1- InChIKey
PDNHTHDAWDMUFF-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Butylmethoxycyclopenten-1-one
- IUPAC
- 3-butyl-4-methoxycyclopent-3-en-1-one
- English name
- 3-butyl-4-methoxy-cyclopent-3-en-1-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
BUTYLMETHOXYCYCLOPENTEN-1-ONE53690-92-93-butyl-4-methoxycyclopent-3-en-1-one3-BUTYL-4-METHOXY-CYCLOPENT-3-EN-1-ONEDTXSID30201947DB-3152842-Cyclopenten-1-one, 4-butyl-3-methoxy-4-Butyl-3-methoxy-2-cyclopenten-1-one3-Methoxy-4-butyl-2-cyclopentene-1-one
Database identifiers
- CAS
53690-92-9- PubChem CID
- 40847
- DTXSID
DTXSID30201947
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 270 · 270.0±29.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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