2,6,11-Trimethyldodecane
Basic information
- CAS
31295-56-4- Standard SMILES
CC(C)CCCCC(C)CCCC(C)C- InChIKey
FONXOARHSFUBAN-UHFFFAOYSA-N- Molecular formula
- C15H32
- Average molar mass
- 212.41 g/mol
- Monoisotopic mass
- 212.25040102
Overview
2,6,11-trimethyldodecane is a branched alkane consisting of dodecane bearing three methyl substituents at positions 2, 6 and 11.
Names & identifiers
- Preferred name
- 2,6,11-Trimethyldodecane
- IUPAC
- 2,6,11-trimethyldodecane
- English name
- 2,6,11-TRIMETHYLDODECANE
- Molecular formula
- C15H32
- Molecular weight
- 212.41
Names & synonyms
2,6,11-TRIMETHYLDODECANE31295-56-4CHEBI:132283DTXSID60865591RefChem:1060189DTXCID10813986Dodecane, 2,6,11-trimethyl-2,6,11-trimethyl-dodecane2,6,11-trimethyl dodecaneSCHEMBL12693762,6,11-TETRAMETHYLDODECANELMFA11000682
Show more names
Rubberoligomers&E&Limpurites
NS00096197
Database identifiers
- CAS
31295-56-4- PubChem CID
- 35768
- DTXSID
DTXSID60865591- ChEBI
CHEBI:132283- Nikkaji
- J47.935G
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 247.8 · 247.8±7.0 °C(Predicted)
- Density
- 0.766 · 0.766±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Dodecane, 2,6,11-trimethyl- (31295-56-4)
Chemistry & industry
Additional notes
DefinitionChEBI: 2,6,11-trimethyldodecane is a branched alkane consisting of dodecane bearing three methyl substituents at positions 2, 6 and 11.
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