2,2,4,5-Tetramethylhexane
Basic information
- CAS
16747-42-5- Standard SMILES
CC(C)C(C)CC(C)(C)C- InChIKey
KDRZICOOQNIJDN-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,2,4,5-Tetramethylhexane
- IUPAC
- 2,2,4,5-tetramethylhexane
- English name
- 2,2,4,5-tetramethylhexane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,2,4,5-TETRAMETHYLHEXANE16747-42-5EINECS 240-812-4RefChem:80868240-812-4KDRZICOOQNIJDN-UHFFFAOYSA-NHexane, 2,2,4,5-tetramethyl-SCHEMBL598504SCHEMBL3244041SCHEMBL3244042SCHEMBL7790747SCHEMBL8846132
Show more names
SCHEMBL9360338SCHEMBL20507632DTXSID70871264AKOS006308254NS00053384Q5651156
Database identifiers
- CAS
16747-42-5- PubChem CID
- 28029
- DTXSID
DTXSID70871264- EC Number
- 240-812-4
- Nikkaji
- J236.847A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 147.89 °C · 147.89°C
- Density
- 0.731 · 0.7310
- refractive index
- 1.411 · 1.4110
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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