4,8-Dimethylundecane
Basic information
- CAS
17301-33-6- Standard SMILES
CCCC(C)CCCC(C)CCC- InChIKey
IQSHRQKBIQNFHO-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 4,8-Dimethylundecane
- IUPAC
- 4,8-dimethylundecane
- English name
- 4,8-Dimethylundecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
4,8-DIMETHYLUNDECANE17301-33-6DTXSID10938269RefChem:508401DTXCID501366808Undecane, 4,8-dimethyl-4,8-dimethyl-undecane4,8-Dimethylundecane #48-DIMETHYL-UNDECANESCHEMBL2507975SCHEMBL3284142SCHEMBL4653001
Show more names
SCHEMBL12537678SCHEMBL29244367
Database identifiers
- CAS
17301-33-6- PubChem CID
- 28454
- DTXSID
DTXSID10938269- Nikkaji
- J114.022A
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 84.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
Physicochemical properties
- Boiling point
- 221.5 · 221.5±7.0 °C(Predicted)
- Density
- 0.755 · 0.755±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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