Basic information
- CAS
1012-76-6- Standard SMILES
CC(C)(C)c1ccccc1C(C)(C)C- InChIKey
SZURZHQMGVKJLV-UHFFFAOYSA-N- Molecular formula
- C14H22
- Average molar mass
- 190.32 g/mol
- Monoisotopic mass
- 190.1721507
Names & identifiers
- Preferred name
- 1,2-Di-tert-butylbenzene
- IUPAC
- 1,2-ditert-butylbenzene
- English name
- 1,2-Di-tert-butylbenzene
- Molecular formula
- C14H22
- Molecular weight
- 190.32448
Names & synonyms
1,2-Di-tert-butylbenzene1012-76-6benzene, 1,2-bis(1,1-dimethylethyl)-DTXSID50143774RefChem:71795DTXCID3066265InChI=1/C14H22/c1-13(2,3)11-9-7-8-10-12(11)14(4,5)6/h7-10H,1-6H1,2-ditert-butylbenzeneo-Di-tert-butylbenzenedi-t-butylbenzeneSCHEMBL125906SCHEMBL580584
Show more names
SCHEMBL677730SCHEMBL1423304SCHEMBL8432844SCHEMBL8918466SCHEMBL29355273SZURZHQMGVKJLV-UHFFFAOYSA-NSY424045
Database identifiers
- CAS
1012-76-6- PubChem CID
- 136807
- DTXSID
DTXSID50143774- Nikkaji
- J437.507F
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 155
Chemistry & industry
Applications
Useso-Di-tert-butylbenzene is a useful building block in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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