Basic information
- CAS
17312-76-4- Standard SMILES
CCCCCC(C)(C)CCCCC- InChIKey
ZFOODCBUKSMZBZ-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 6,6-Dimethylundecane
- IUPAC
- 6,6-dimethylundecane
- English name
- 6,6-Dimethylundecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
6,6-DimethylundecaneRefChem:53856717312-76-4Undecane, 6,6-dimethyl-6,6'-DIMETHYLUNDECANEdimethylundecane6,6-dimethyl-undecane6,6-Dimethylundecane #SCHEMBL6063824SCHEMBL25384743DTXSID40169529NS00025672
Database identifiers
- CAS
17312-76-4- PubChem CID
- 28474
- DTXSID
DTXSID40169529- EC Number
- 925-719-5
- Nikkaji
- J125.209G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 90.6
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 217.4 · 217.4±7.0 °C(Predicted)
- Density
- 0.758 · 0.758±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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