Basic information
- CAS
55045-11-9- Standard SMILES
CCCCCCCCC(CCC)CCCC- InChIKey
SCMYWAVVKSTDNI-UHFFFAOYSA-N- Molecular formula
- C16H34
- Average molar mass
- 226.44 g/mol
- Monoisotopic mass
- 226.26605109
Names & identifiers
- Preferred name
- 5-Propyltridecane
- IUPAC
- 5-propyltridecane
- English name
- 5-propyltridecane
- Molecular formula
- C16H34
- Molecular weight
- 226.44
Names & synonyms
5-PROPYLTRIDECANE55045-11-9DTXSID70866458RefChem:537780DTXCID00814740Tridecane, 5-propyl-5-propyl-tridecane5-Propyltridecane #SCHEMBL103378SCHEMBL199530SCHEMBL2991307SCHEMBL25182564
Show more names
SCHEMBL28100081DB-317810NS00125241
Database identifiers
- CAS
55045-11-9- PubChem CID
- 41310
- DTXSID
DTXSID70866458- Nikkaji
- J104.629B
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Boiling point
- 272.4 · 272.4±7.0 °C(Predicted)
- Density
- 0.772 · 0.772±0.06 g/cm3(Predicted)
- LogP
- 8.703 · 8.703 (est)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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