Basic information
- CAS
75909-62-5- Standard SMILES
CC1=C(C(C)(C)C)C(=O)c2ccccc2C1=O- InChIKey
FAGPRNCVCGPWQA-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- 2-Tert-butyl-3-methylnaphthalene-1,4-dione
- IUPAC
- 2-tert-butyl-3-methylnaphthalene-1,4-dione
Names & synonyms
2-tert-butyl-3-methylnaphthalene-1,4-dione75909-62-5DTXSID10319554RefChem:267120DTXCID70270677NSC347109SCHEMBL1102013NSC-347109DS-0049053-Methyl-2-tert-butyl-naphthalene-1,4-dione
Database identifiers
- CAS
75909-62-5- PubChem CID
- 335802
- DTXSID
DTXSID10319554
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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