Basic information
- CAS
17312-82-2- Standard SMILES
CCCCCC(C)CC(C)CCC- InChIKey
YXHLCYIRSXOVHP-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Overview
4,6-dimethylundecane is an alkane that is undecane substituted by methyl groups at positions 4 and 6. It has a role as a human metabolite. It derives from a hydride of an undecane.
Names & identifiers
- Preferred name
- 4,6-Dimethylundecane
- IUPAC
- 4,6-dimethylundecane
- English name
- 4,6-Dimethylundecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
4,6-DIMETHYLUNDECANE17312-82-2CHEBI:84285DTXSID30938327RefChem:508156DTXCID701366866Undecane, 4,6-dimethyl-4,6-Dimethylundecane #4,6-DIMETHYL UNDECANESCHEMBL4276525SCHEMBL4276528LMFA11000692
Show more names
Q27157649
Database identifiers
- CAS
17312-82-2- PubChem CID
- 28477
- DTXSID
DTXSID30938327- ChEBI
CHEBI:84285- Nikkaji
- J125.208I
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
- 96.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 218.3 · 218.3±7.0 °C(Predicted)
- Density
- 0.755 · 0.755±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Undecane, 4,6-dimethyl- (17312-82-2)
Chemistry & industry
Additional notes
DefinitionChEBI: 4,6-dimethylundecane is an alkane that is undecane substituted by methyl groups at positions 4 and 6. It has a role as a human metabolite. It derives from a hydride of an undecane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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