Basic information
- CAS
62016-28-8- Standard SMILES
CCC(C)CCCC(C)(C)C- InChIKey
NBIHFQKVSFKHGH-UHFFFAOYSA-N- Molecular formula
- C11H24
- Average molar mass
- 156.31 g/mol
- Monoisotopic mass
- 156.18780077
Names & identifiers
- Preferred name
- 2,2,6-Trimethyloctane
- IUPAC
- 2,2,6-trimethyloctane
- English name
- 2,2,6-Trimethyloctane
- Molecular formula
- C11H24
- Molecular weight
- 156.31
Names & synonyms
2,2,6-Trimethyloctane62016-28-8DTXSID20334819RefChem:1059045DTXCID70285908Octane, 2,2,6-trimethyl-2,2,6-Trimethyloctane #SCHEMBL645210SCHEMBL1436756SCHEMBL1517434SCHEMBL9953966SCHEMBL17607654
Show more names
Trimethyloctane, 2,2,6-
2,2,6-TRIMETHYL-OCTANEDB-355027NS00095832
Database identifiers
- CAS
62016-28-8- PubChem CID
- 522006
- DTXSID
DTXSID20334819- Nikkaji
- J125.016G
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 86.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -57.06 °C · -57.06°C (estimate)
- Boiling point
- 174 °C · 174°C
- Density
- 0.7349 · 0.7349
- refractive index
- 1.4134 · 1.4134
- Henry's Law Constant
- 9.6 · 9.6×10-7 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 2 · Octane, 2,2,6-trimethyl- (62016-28-8)
Chemistry & industry
Suppliers1 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…