Basic information
- CAS
62338-24-3- Standard SMILES
CCC1CC(C)=C(C(C)=O)C1CC- InChIKey
DBGUPVIBNLDIII-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Ethanone, 1-(4,5-diethyl-2-methyl-1-cyclopenten-1-yl)-
- IUPAC
- 1-(4,5-diethyl-2-methylcyclopenten-1-yl)ethanone
- English name
- 1-(4,5-Diethyl-2-methyl-1-cyclopenten-1-yl)ethanone
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
62338-24-3Ethanone, 1-(4,5-diethyl-2-methyl-1-cyclopenten-1-yl)-1-(4,5-Diethyl-2-methyl-1-cyclopenten-1-yl)ethanone1-(4,5-Diethyl-2-methylcyclopent-1-en-1-yl)ethan-1-oneDTXSID70977896DBGUPVIBNLDIII-UHFFFAOYSA-NDB-3224281-(4,5-Diethyl-2-methyl-1-cyclopenten-1-yl)ethanone #
Database identifiers
- CAS
62338-24-3- PubChem CID
- 44007
- DTXSID
DTXSID70977896- Nikkaji
- J124.757C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 256.5 · 256.5±19.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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