22-Tritetracontanone
Basic information
- CAS
591-71-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCC- InChIKey
ODSVXDFDFCXJDV-UHFFFAOYSA-N- Molecular formula
- C43H86O
- Average molar mass
- 619.1 g/mol
- Monoisotopic mass
- 618.66786736
Names & identifiers
- Preferred name
- 22-Tritetracontanone
- IUPAC
- tritetracontan-22-one
- English name
- tritetracontan-22-one
- Molecular formula
- C43H86O
- Molecular weight
- 619.14
Names & synonyms
22-TritetracontanoneTritetracontan-22-onebehenonebehenonDIHENICOSYL KETONEUNII-17W7TZ7ENBEINECS 209-729-017W7TZ7ENBNSC-229455DTXSID90207844NSC 229455RefChem:89745
Show more names
DTXCID40130335ODSVXDFDFCXJDV-UHFFFAOYSA-N591-71-9NSC229455SCHEMBL6249340NS00043084Q27251942
Database identifiers
- CAS
591-71-9- PubChem CID
- 68959
- DTXSID
DTXSID90207844- UNII
- 17W7TZ7ENB
- EC Number
- 209-729-0
- Nikkaji
- J188.463H
Properties
Computed structural properties
- XLogP
- 21.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 40
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Melting point
- 96.05 · 96.05-96.3 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 622 · 622.0±23.0 °C(Predicted)
- Density
- 0.841 · 0.841±0.06 g/cm3(Predicted)
- FDA UNII
- 17 W7TZ7ENB · 17W7TZ7ENB
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Compound notes
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