3-(tert-Butyl)-1-methylnaphthalene
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Basic information
- CAS
883-80-7- Standard SMILES
Cc1cc(C(C)(C)C)cc2ccccc12- InChIKey
IRMNGEAZYAGNMC-UHFFFAOYSA-N- Molecular formula
- C15H18
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.14085057
Names & identifiers
- Preferred name
- 3-(tert-Butyl)-1-methylnaphthalene
- IUPAC
- 3-tert-butyl-1-methylnaphthalene
- English name
- 3-(tert-butyl)-1-methylnaphthalene
- Molecular formula
- C15H18
- Molecular weight
- 198.3
Names & synonyms
3-(tert-Butyl)-1-methylnaphthalene3-tert-butyl-1-methylnaphthalene883-80-7A65AKH7BBPEINECS 212-933-23-(1,1-Dimethylethyl)-1-methylnaphthaleneUNII-A65AKH7BBPSCHEMBL22747181DTXSID00236943IRMNGEAZYAGNMC-UHFFFAOYSA-NNaphthalene, 3-tert-butyl-1-methyl-NS00039261
Show more names
Naphthalene, 3-(1,1-dimethylethyl)-1-methyl-
Database identifiers
- CAS
883-80-7- PubChem CID
- 70162
- DTXSID
DTXSID00236943- UNII
- A65AKH7BBP
- EC Number
- 212-933-2
- Nikkaji
- J195.180G
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- FDA UNII
- 65 AKH7BBP · A65AKH7BBP
Related reactions
0 records
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Compound notes
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