Basic information
- CAS
4132-49-4- Standard SMILES
CC(C)c1ccc(C(C)(C)C)cc1- InChIKey
QLPNXSSDHYYKBS-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- 1-Tert-butyl-4-isopropylbenzene
- IUPAC
- 1-tert-butyl-4-propan-2-ylbenzene
Names & synonyms
1-Tert-butyl-4-isopropylbenzene4132-49-4DTXSID90275669RefChem:1057146DTXCID902270871-tert-butyl-4-(propan-2-yl)benzenep-isopropyl-t-butylbenzenep-tert-butylisopropylbenzeneSCHEMBL548066SCHEMBL7965283SCHEMBL8782109SCHEMBL9635853
Show more names
QLPNXSSDHYYKBS-UHFFFAOYSA-NBenzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl)
Database identifiers
- CAS
4132-49-4- PubChem CID
- 61382
- DTXSID
DTXSID90275669- Nikkaji
- J908.212C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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