Benzene, 1-(2,2-dimethylpropoxy)-4-methyl-
Basic information
- CAS
3898-10-0- Standard SMILES
Cc1ccc(OCC(C)(C)C)cc1- InChIKey
SGYBIUXIZLWNBH-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Benzene, 1-(2,2-dimethylpropoxy)-4-methyl-
- IUPAC
- 1-(2,2-dimethylpropoxy)-4-methylbenzene
- English name
- tert-butyl-4-methylanisole
- Molecular formula
- C12H18O
- Molecular weight
- 178.27072
Names & synonyms
3898-10-01-(2,2-dimethylpropoxy)-4-methylbenzeneBenzene, 1-(2,2-dimethylpropoxy)-4-methyl-SCHEMBL507395SCHEMBL2855226DTXSID10128068294247-80-0DS-0196611-(2,2-Dimethyl-propoxy)-4-methyl-benzenetert-butyl-4-methylanisole
Database identifiers
- CAS
3898-10-0、94247-80-0- PubChem CID
- 17835971
- DTXSID
DTXSID101280682- EC Number
- 304-250-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
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Related reactions
2 records
Compound notes
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