Basic information
- CAS
62108-31-0- Standard SMILES
CCC(CC(C)(C)C)CC(C)(C)C- InChIKey
HCYDMRODXAVTKT-UHFFFAOYSA-N- Molecular formula
- C13H28
- Average molar mass
- 184.36 g/mol
- Monoisotopic mass
- 184.21910089
Names & identifiers
- Preferred name
- 4-Ethyl-2,2,6,6-tetramethylheptane
- IUPAC
- 4-ethyl-2,2,6,6-tetramethylheptane
- English name
- 4-Ethyl-2,2,6,6-tetramethylheptane
- Molecular formula
- C13H28
- Molecular weight
- 184.36
Names & synonyms
4-ETHYL-2,2,6,6-TETRAMETHYLHEPTANE62108-31-0DTXSID90211168RefChem:522739DTXCID901336592,2,6,6-Tetramethyl-4-ethylheptaneHeptane, 4-ethyl-2,2,6,6-tetramethyl-SCHEMBL4578588SCHEMBL4655335SCHEMBL4655337LMFA110006724-Ethyl-2,2,6,6-tetramethylheptane #
Show more names
DB-367767NS000959684-ETHYL-2,2,6,6-TETRAMETHYL HEPTANE
Database identifiers
- CAS
62108-31-0- PubChem CID
- 43925
- DTXSID
DTXSID90211168- Nikkaji
- J125.189I
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Boiling point
- 195 · 195.0±7.0 °C(Predicted)
- Density
- 0.756 · 0.756±0.06 g/cm3(Predicted)
- LogP
- 6.666 · 6.666 (est)
Chemistry & industry
Suppliers2 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
SynZeal Research Pvt Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…