Basic information
- CAS
10544-96-4- Standard SMILES
CCCCCCCCCCCCC(C)CCCCC- InChIKey
MMQAZWNADBJFCD-UHFFFAOYSA-N- Molecular formula
- C19H40
- Average molar mass
- 268.5 g/mol
- Monoisotopic mass
- 268.31300128
Names & identifiers
- Preferred name
- Octadecane, 6-methyl-
- IUPAC
- 6-methyloctadecane
- English name
- 6-methyloctadecane
- Molecular formula
- C19H40
- Molecular weight
- 268.52
Names & synonyms
Octadecane, 6-methyl-10544-96-4DTXSID90880752RefChem:167598DTXCID701022113MMQAZWNADBJFCD-UHFFFAOYSA-N6-Methyloctadecane6-methyl octadecane6-Methyloctadecane #SCHEMBL101647SCHEMBL199274SCHEMBL5984504
Show more names
SCHEMBL16414570SCHEMBL27038960SCHEMBL28316458SCHEMBL28845556NS00095979
Database identifiers
- CAS
10544-96-4- PubChem CID
- 93065
- DTXSID
DTXSID90880752- Nikkaji
- J110.778J
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 324 · 324.0±9.0 °C(Predicted)
- Density
- 0.783 · 0.783±0.06 g/cm3(Predicted)
- LogP
- 10.232 · 10.232 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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