1,3,4-Metheno-2H-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a-octachlorooctahydro-
Basic information
- CAS
69417-78-3- Standard SMILES
O=C1C2(Cl)C3C4(Cl)C1(Cl)C1C2(Cl)C3(Cl)C(Cl)(Cl)C14Cl- InChIKey
XFRVOZJQGBOGKE-UHFFFAOYSA-N- Molecular formula
- C10H2Cl8O
- Average molar mass
- 421.7 g/mol
- Monoisotopic mass
- 417.761386
Names & identifiers
- Preferred name
- 1,3,4-Metheno-2H-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a-octachlorooctahydro-
- IUPAC
- 1,2,4,6,8,9,10,10-octachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one
Names & synonyms
69417-78-31,3,4-Metheno-2H-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a-octachlorooctahydro-Merex, 5b,6-dihydro-Kepone, 5b,6-dihydro-Clordecone, 5b,6-dihydro-Chlordecone, 5b,6-dihydro-DTXSID60989261XFRVOZJQGBOGKE-UHFFFAOYSA-N1,1a,3,3a,4,5,5,5a-octachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one1,1a,3,3a,4,5,5,5a-octachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one
Database identifiers
- CAS
69417-78-3- PubChem CID
- 155302
- DTXSID
DTXSID60989261
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 587
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Compound notes
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