Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCC1(CCC(=O)CCCc2cccc(OC)c2)C(=O)CCC1=O- InChIKey
HFGBWGWGFHSYHF-UHFFFAOYSA-N- Molecular formula
- C34H54O4
- Average molar mass
- 526.8 g/mol
Names & identifiers
- Preferred name
- 2-Cetyl-2-(6-m-methoxyphenyl-3-oxohexyl)-1,3-cyclopentanedione
- IUPAC
- 2-hexadecyl-2-[6-(3-methoxyphenyl)-3-oxohexyl]cyclopentane-1,3-dione
Names & synonyms
SCHEMBL11861906HFGBWGWGFHSYHF-UHFFFAOYSA-N2-cetyl-2-(6-m-methoxyphenyl-3-oxohexyl)-1,3-cyclopentanedione
Database identifiers
- PubChem CID
- 21485591
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 653
Related reactions
3 records
Compound notes
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