1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-
Basic information
- CAS
87625-52-3- Standard SMILES
COc1cccc2c1C(=O)C=C(CCC(C)C)C2=O- InChIKey
HJWPKBDFOOCPNN-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-
- IUPAC
- 5-methoxy-2-(3-methylbutyl)naphthalene-1,4-dione
Names & synonyms
1,4-Naphthalenedione, 5-methoxy-2-(3-methylbutyl)-87625-52-35-methoxy-2-(3-methylbutyl)naphthalene-1,4-dioneDTXSID90236533
Database identifiers
- CAS
87625-52-3- PubChem CID
- 159128
- DTXSID
DTXSID90236533
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…