Basic information
- CAS
29577-19-3- Standard SMILES
CCc1cc(CC)cc(C(C)(C)C)c1- InChIKey
ISMIPBZQDCUHAO-UHFFFAOYSA-N- Molecular formula
- C14H22
- Average molar mass
- 190.32 g/mol
- Monoisotopic mass
- 190.1721507
Names & identifiers
- Preferred name
- 5-(Tert-butyl)-m-cymene
- IUPAC
- 1-tert-butyl-3,5-diethylbenzene
- English name
- 1-Isopropyl-3-tert-butyl-5-methylbenzene
- Molecular formula
- C14H22
- Molecular weight
- 190.32
Names & synonyms
1-tert-butyl-3,5-diethylbenzene5-(TERT-BUTYL)-M-CYMENE29577-19-3DTXSID10183752RefChem:101843DTXCID501062431,3-diethyl-5-t-butylbenzeneSCHEMBL9934549SCHEMBL283549141-Isopropyl-3-tert-butyl-5-methylbenzene1-tert-butyl-3-isopropyl-5-methyl-benzeneBenzene, 1-(1,1-dimethylethyl)-3-methyl-5-(1-methylethyl)-
Database identifiers
- CAS
29577-19-3- PubChem CID
- 34640
- DTXSID
DTXSID10183752
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 227.3 · 227.3±20.0 °C(Predicted)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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