4-Methyl-1,3-cyclopentanedione
Basic information
- CAS
35029-03-9- Standard SMILES
CC1CC(=O)CC1=O- InChIKey
LRBRQJWOVMKKCT-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 4-Methyl-1,3-cyclopentanedione
- IUPAC
- 4-methylcyclopentane-1,3-dione
- English name
- 5-Methyl-1,3-cyclopentanedione
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
4-methylcyclopentane-1,3-dione35029-03-94-Methyl-1,3-cyclopentanedione1,3-Cyclopentanedione, 4-methyl-SCHEMBL1742219DTXSID70336686LRBRQJWOVMKKCT-UHFFFAOYSA-N4-Methyl-1,3-cyclopentanedione #3-Methyl-1,3-cyclopentanedione5-Methyl-1,3-cyclopentanedione
Database identifiers
- CAS
35029-03-9- PubChem CID
- 535504
- DTXSID
DTXSID70336686- Nikkaji
- J110.438A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 137
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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