2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione
Basic information
- CAS
1258-63-5- Standard SMILES
CC(=CCC1=C(Cl)C(=O)c2ccccc2C1=O)CCCC(C)CCCC(C)CCCC(C)C- InChIKey
BFMNXKXZDPXHIG-UHFFFAOYSA-N- Molecular formula
- C30H43ClO2
- Average molar mass
- 471.1 g/mol
- Monoisotopic mass
- 470.2951583
Names & identifiers
- Preferred name
- 2-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione
- IUPAC
- 2-chloro-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
Names & synonyms
1258-63-5SCHEMBL9485652SCHEMBL41990647DTXSID4011486372-Chloro-3-(3,7,11,15-tetramethyl-2-hexadecen-1-yl)-1,4-naphthalenedione2-Chloro-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione
Database identifiers
- CAS
1258-63-5- PubChem CID
- 160571
- DTXSID
DTXSID401148637
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…