2,5-Dimethylundecane
Basic information
- CAS
17301-22-3- Standard SMILES
CCCCCCC(C)CCC(C)C- InChIKey
HGYKYVHHAJFANS-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Overview
2,5-dimethylundecane is a branched alkane that is undecane substituted at positions 2 and 5 by methyl groups.
Names & identifiers
- Preferred name
- 2,5-Dimethylundecane
- IUPAC
- 2,5-dimethylundecane
- English name
- 2,5-dimethylundecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,5-DIMETHYLUNDECANE17301-22-3Undecane, 2,5-dimethyl-CHEBI:77445DTXSID50938268RefChem:82981DTXCID801366807HGYKYVHHAJFANS-UHFFFAOYSA-N2,5-DimethylundecanSCHEMBL4577918SCHEMBL22615115SCHEMBL28154768
Show more names
LMFA11000681Q27146972
Database identifiers
- CAS
17301-22-3- PubChem CID
- 28452
- DTXSID
DTXSID50938268- ChEBI
CHEBI:77445- Nikkaji
- J114.081G
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
- 94.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 214 · 214-216 °C
- Density
- 0.758 g/cm3 · 0.7580 g/cm3
- LogP
- 7.019 · 7.019 (est)
- EPA Substance Registry System
- 2 · Undecane, 2,5-dimethyl- (17301-22-3)
Chemistry & industry
Additional notes
DefinitionChEBI: A branched alkane that is undecane substituted at positions 2 and 5 by methyl groups.
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