Basic information
- CAS
49802-40-6- Standard SMILES
CC(C)CCC1=CC(=O)c2ccccc2C1=O- InChIKey
LTDXMRHTAVBPHX-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Names & identifiers
- Preferred name
- 2-(3-Methylbutyl)naphthalene-1,4-dione
- IUPAC
- 2-(3-methylbutyl)naphthalene-1,4-dione
Names & synonyms
49802-40-62-(3-methylbutyl)naphthalene-1,4-dioneNSC403783CHEMBL156105SCHEMBL1137991SCHEMBL41990639DTXSID50323372NSC-403783
Database identifiers
- CAS
49802-40-6- PubChem CID
- 345883
- DTXSID
DTXSID50323372- ChEMBL
CHEMBL156105
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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