Basic information
- CAS
62016-14-2- Standard SMILES
CCC(C)C(C)CCC(C)C- InChIKey
VHBZECSWMWWTMQ-UHFFFAOYSA-N- Molecular formula
- C11H24
- Average molar mass
- 156.31 g/mol
- Monoisotopic mass
- 156.18780077
Names & identifiers
- Preferred name
- 2,5,6-Trimethyloctane
- IUPAC
- 2,5,6-trimethyloctane
- English name
- 2,5,6-trimethyloctane
- Molecular formula
- C11H24
- Molecular weight
- 156.31
Names & synonyms
2,5,6-Trimethyloctane62016-14-2DTXSID60337925RefChem:1060002DTXCID20289012Octane, 2,5,6-trimethyl-2,5,6-Trimethyloctane #SCHEMBL3958186SCHEMBL17607375OCTANE,2,5,6-TRIMETHYL-LMFA11000680DB-355252
Show more names
NS00096158
Database identifiers
- CAS
62016-14-2- PubChem CID
- 545571
- DTXSID
DTXSID60337925- Nikkaji
- J125.014K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 84
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -57.06 °C · -57.06°C (estimate)
- Boiling point
- 178 °C · 178°C
- Density
- 0.747 · 0.7470
- refractive index
- 1.4189 · 1.4189
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- EPA Substance Registry System
- 2 · Octane, 2,5,6-trimethyl- (62016-14-2)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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