3-Chloro-5-hydroxy-2-methyl-6-decyl-1,4-benzoquinone
Basic information
- CAS
120559-62-8- Standard SMILES
CCCCCCCCCCC1=C(O)C(C)=C(Cl)C(=O)C1=O- InChIKey
YWYPMZPMAVGPHK-UHFFFAOYSA-N- Molecular formula
- C17H25ClO3
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1492223
Names & identifiers
- Preferred name
- 3-Chloro-5-hydroxy-2-methyl-6-decyl-1,4-benzoquinone
- IUPAC
- 3-chloro-6-decyl-5-hydroxy-4-methylcyclohexa-3,5-diene-1,2-dione
- English name
- 3-chloro-5-hydroxy-2-methyl-6-decyl-1,4-benzoquinone
- Molecular formula
- C17H25ClO3
- Molecular weight
- 312.83
Names & synonyms
120559-62-83-Chloro-5-hydroxy-2-methyl-6-decyl-1,4-benzoquinone3-chloro-6-decyl-5-hydroxy-4-methylcyclohexa-3,5-diene-1,2-dione3-ChmdbDTXSID409234663-chloro-5-hydroxyl-2-methyl-6-decyl-1,4-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2-chloro-5-decyl-6-hydroxy-3-methyl-
Database identifiers
- CAS
120559-62-8- PubChem CID
- 129193
- DTXSID
DTXSID40923466
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 414.1 · 414.1±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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