Basic information
- CAS
63918-79-6- Standard SMILES
CC(C)CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
PKDCVWRKTAWUET-UHFFFAOYSA-N- Molecular formula
- C11H11Cl5O
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 333.925253
Names & identifiers
- Preferred name
- Isoamyl pentachlorophenyl ether
- IUPAC
- 1,2,3,4,5-pentachloro-6-(3-methylbutoxy)benzene
- English name
- Isopentylpentachlorophenyl ether
- Molecular formula
- C11H11Cl5O
- Molecular weight
- 336.47
Names & synonyms
Isoamyl pentachlorophenyl ether63918-79-6UNII-GC383IHI3QGC383IHI3QETHER, ISOPENTYL PENTACHLOROPHENYLBenzene, pentachloro(3-methylbutoxy)-DTXSID50213704PENTACHLOROPHENYL ISOPENTYL ETHERBENZENE, 1,2,3,4,5-PENTACHLORO-6-(3-METHYLBUTOXY)-RefChem:149004DTXCID401361951,2,3,4,5-pentachloro-6-(3-methylbutoxy)benzene
Show more names
Isopentylpentachlorophenyl ether
SCHEMBL9683142PKDCVWRKTAWUET-UHFFFAOYSA-NPentachlorophenol, 3-methylbutyl etherQ27279024
Database identifiers
- CAS
63918-79-6- PubChem CID
- 45442
- DTXSID
DTXSID50213704- UNII
- GC383IHI3Q
- Nikkaji
- J93.000H
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- FDA UNII
- 383 IHI3Q · GC383IHI3Q
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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