Basic information
- CAS
1459-11-6- Standard SMILES
CC(C)(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1- InChIKey
IHZGECPPAQDWKL-UHFFFAOYSA-N- Molecular formula
- C18H30
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.23475096
Names & identifiers
- Preferred name
- 1,2,4-Tri-tert-butylbenzene
- IUPAC
- 1,2,4-tritert-butylbenzene
- English name
- 1,2,4-Tris(1,1-dimethylethyl)benzene
- Molecular weight
- 0
Names & synonyms
1,2,4-Tri-tert-butylbenzene1459-11-6DTXSID90163173RefChem:214977DTXCID00856641,2,4-Tri-t-butylbenzene1,2,4-tritert-butylbenzene1,2,4-TRIS(1,1-DIMETHYLETHYL)BENZENESCHEMBL7794151,2,4-tritert-butyl-benzeneSCHEMBL5094246SCHEMBL5101157
Show more names
1,2,4-Tri(tert-butyl)benzene
SCHEMBL28570890SCHEMBL296301321,2,4-Tris-(1,1-dimethylethyl)benzene
Database identifiers
- CAS
1459-11-6- PubChem CID
- 15087
- DTXSID
DTXSID90163173- Nikkaji
- J180.742K
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 48 °C · 48°C
- Boiling point
- 324.44 °C · 324.44°C (estimate)
- Density
- 0.8496 · 0.8496 (estimate)
- refractive index
- 1.4914 · 1.4914 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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