1,6-Bis(4-methylphenyl)hexane-1,6-dione
Basic information
- CAS
6280-00-8- Standard SMILES
Cc1ccc(C(=O)CCCCC(=O)c2ccc(C)cc2)cc1- InChIKey
ONAXVWKDWBEZCL-UHFFFAOYSA-N- Molecular formula
- C20H22O2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.16197994
Names & identifiers
- Preferred name
- 1,6-Bis(4-methylphenyl)hexane-1,6-dione
- IUPAC
- 1,6-bis(4-methylphenyl)hexane-1,6-dione
Names & synonyms
6280-00-81,6-bis(4-methylphenyl)hexane-1,6-dioneNSC11032SCHEMBL9419411DTXSID709784641,4-Di-(p-methyl benzoyl)-butaneNSC-11032
Database identifiers
- CAS
6280-00-8- PubChem CID
- 223404
- DTXSID
DTXSID70978464- Nikkaji
- J1.469.538I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 322
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Compound notes
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