Basic information
- CAS
921212-71-7- Standard SMILES
CCCCC(=O)CC(C)CC(=O)CCCC- InChIKey
XUCSNHSYMJAAMA-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 7-Methyltridecane-5,9-dione
- IUPAC
- 7-methyltridecane-5,9-dione
Names & synonyms
7-METHYLTRIDECANE-5,9-DIONE921212-71-7SCHEMBL2049922DTXSID80732352
Database identifiers
- CAS
921212-71-7- PubChem CID
- 59550291
- DTXSID
DTXSID80732352
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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