2,7:3,6-Dimethanonaphth(2,3-b)oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer
Basic information
- CAS
26946-01-0- Standard SMILES
OC1C2C3OC3C1C1C2C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl- InChIKey
VRHKKHANKOOSAH-UHFFFAOYSA-N- Molecular formula
- C12H8Cl6O2
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 393.865546
Names & identifiers
- Preferred name
- 2,7:3,6-Dimethanonaphth(2,3-b)oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer
- IUPAC
- 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-en-12-ol
- English name
- (2β,7β,8-syn)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxiren-8-ol
- Molecular formula
- C12H8Cl6O2
- Molecular weight
- 396.91
Names & synonyms
2,7:3,6-Dimethanonaphth(2,3-b)oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomer49748-76-72,7:3,6-Dimethanonaphth[2,3-b]oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, stereoisomerRefChem:1060389DTXSID801033622syn-12-Hydroxydieldrin26946-01-09-HydroxydieldrinWL 402313,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-en-12-ol9-Hydroxyendrin2,7:3,6-Dimethanonaphth(2,3-b)oxiren-8-ol, 3,4,5,6,9,9-hexachloro-1a,alpha,2a,3,6,6a,7,7a-octahydro-
Show more names
WL-402319-syn-HydroxyHEOD3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-diMethanonaphth[2,3-b]oxiren-8-ol(2β,7β,8-syn)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxiren-8-ol9-(syn-Epoxy)hydroxy-1,2,3,4,10,10-hexachloro- 6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-5,8-exo-diMethanonaphthalene
38149-13-2syn-12-Hydroxyendrinanti-12-Hydroxyendrin9-Hydroxy-HEOD9-syn-Hydroxy HEOD(2beta,7beta,8-syn)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,79-Hydoxy-HEODWL 41433
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 479.9 · 479.9±45.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- pka
- 12.16 · 12.16±0.70(Predicted)
Chemistry & industry
Applications
UsesA major mammalian metabolite of Dieldrin and Endrin.
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Compound notes
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