2,6,7-Trimethyldecane
Basic information
- CAS
62108-25-2- Standard SMILES
CCCC(C)C(C)CCCC(C)C- InChIKey
OBRONVGOGGDKLB-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Overview
2,6,7-trimethyldecane is a branched alkane consisting of decane bearing three methyl substituents at positions 2, 6 and 7.
Names & identifiers
- Preferred name
- 2,6,7-Trimethyldecane
- IUPAC
- 2,6,7-trimethyldecane
- English name
- 2,6,7-Trimethyl-decane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,6,7-TRIMETHYLDECANE62108-25-2CHEBI:132231DTXSID10866912RefChem:445151DTXCID508151412,6,7-TRIMETHYL-DECANEDecane, 2,6,7-trimethyl-2,6,7-Trimethyldecane #SCHEMBL4579918OBRONVGOGGDKLB-UHFFFAOYSA-NLMFA11000685
Show more names
DB-355310NS00123968
Database identifiers
- CAS
62108-25-2- PubChem CID
- 43924
- DTXSID
DTXSID10866912- ChEBI
CHEBI:132231- Nikkaji
- J121.162E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 216.8 · 216.8±7.0 °C(Predicted)
- Density
- 0.754 · 0.754±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Decane, 2,6,7-trimethyl- (62108-25-2)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: 2,6,7-trimethyldecane is a branched alkane consisting of decane bearing three methyl substituents at positions 2, 6 and 7.
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