Basic information
- CAS
6418-43-5- Standard SMILES
CCCCCCCCCCCCCC(C)CC- InChIKey
WWPCLIMUTNKTDY-UHFFFAOYSA-N- Molecular formula
- C17H36
- Average molar mass
- 240.5 g/mol
- Monoisotopic mass
- 240.28170115
Names & identifiers
- Preferred name
- 3-Methylhexadecane
- IUPAC
- 3-methylhexadecane
- English name
- 3-Methylhexadecane
- Molecular formula
- C17H36
- Molecular weight
- 240.47
Names & synonyms
3-MethylhexadecaneHexadecane, 3-methyl-DTXSID50880753Hexadecane, 3methylRefChem:94915DTXCID401022114WWPCLIMUTNKTDY-UHFFFAOYSA-N6418-43-5SCHEMBL101263SCHEMBL102504SCHEMBL347621SCHEMBL1023158
Show more names
SCHEMBL5985956SCHEMBL10424078SCHEMBL17956344LMFA11000398NS00096007
Database identifiers
- CAS
6418-43-5- PubChem CID
- 93030
- DTXSID
DTXSID50880753- Nikkaji
- J530.330C
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- -15 °C · -15°C
- Boiling point
- 298 °C · 298°C
- Density
- 0.7775 · 0.7775
- refractive index
- 1.4362 · 1.4362
- LogP
- 9.6 · 9.600 (est)
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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