9-Heptacosanone
Basic information
- CAS
32666-58-3- Standard SMILES
CCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC- InChIKey
RYAQBWLSAXDVIT-UHFFFAOYSA-N- Molecular formula
- C27H54O
- Average molar mass
- 394.7 g/mol
- Monoisotopic mass
- 394.41746634
Names & identifiers
- Preferred name
- 9-Heptacosanone
- IUPAC
- heptacosan-9-one
Names & synonyms
9-HeptacosanoneBRN 227516532666-58-3DTXSID00186338RefChem:107910DTXCID10108829heptacosan-9-oneSCHEMBL21044690
Database identifiers
- CAS
32666-58-3- PubChem CID
- 208635
- DTXSID
DTXSID00186338
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 24
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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