Basic information
- CAS
13475-77-9- Standard SMILES
CCCCCCCCCCCC(CCCCCCCC)CCCCCCCC- InChIKey
JNRMADFNKDCLKT-UHFFFAOYSA-N- Molecular formula
- C28H58
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 394.45385185
Names & identifiers
- Preferred name
- 9-Octyleicosane
- IUPAC
- 9-octylicosane
- English name
- Eicosane,9-octyl-
- Molecular formula
- C28H58
- Molecular weight
- 394.76
Names & synonyms
9-OctyleicosaneRefChem:10750349-OctylicosaneEicosane, 9-octyl-9-n-Octyleicosane13475-77-99-octyl-eicosane9-Octylicosane #NSC133127EICOSANE,9-OCTYL-SCHEMBL690211SCHEMBL6239050
Show more names
DTXSID10299842LMFA11000710NSC-133127
Database identifiers
- CAS
13475-77-9- PubChem CID
- 280905
- DTXSID
DTXSID10299842- Nikkaji
- J104.863E
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 24
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- 0.5 °C · 0.5°C
- Boiling point
- 417.35 °C · 417.35°C (estimate)
- Density
- 0.8075 · 0.8075
- refractive index
- 1.4515 · 1.4515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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