Basic information
- CAS
62237-98-3- Standard SMILES
CCCCCCC(C)CC(C)(C)C- InChIKey
ZWJKFSZYIOCMGF-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 2,2,4-Trimethyldecane
- IUPAC
- 2,2,4-trimethyldecane
- English name
- 2,2,4-Trimethyldecane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
2,2,4-Trimethyldecane62237-98-3DTXSID00337984RefChem:1059021DTXCID60289071Decane, 2,2,4-trimethyl-2,2,4-Trimethyl-Decane2,2,4-Trimethyldecane #SCHEMBL2490684SCHEMBL25385231ZWJKFSZYIOCMGF-UHFFFAOYSA-NDB-355016
Database identifiers
- CAS
62237-98-3- PubChem CID
- 545792
- DTXSID
DTXSID00337984- Nikkaji
- J125.236D
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 211 · 211.0±7.0 °C(Predicted)
- Density
- 0.756 · 0.756±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Decane, 2,2,4-trimethyl- (62237-98-3)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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