1,3-Benzenediol, 5-(heptadecenyl)-
Basic information
- CAS
91490-96-9- Standard SMILES
CCCCCCCCCCCCCCC/C=C/c1cc(O)cc(O)c1- InChIKey
RISLNQPQLHCVQE-WUKNDPDISA-N- Molecular formula
- C23H38O2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.28718045
Names & identifiers
- Preferred name
- 1,3-Benzenediol, 5-(heptadecenyl)-
- IUPAC
- 5-[(E)-heptadec-1-enyl]benzene-1,3-diol
Names & synonyms
1,3-Benzenediol, 5-(heptadecenyl)-91490-96-91,3-dihydroxy-5-(10''-heptadecenyl)benzene
Database identifiers
- CAS
91490-96-9- PubChem CID
- 6442500
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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