Basic information
- CAS
123805-38-9- Standard SMILES
C[C@]1(Cl)C[C@@](C)(/C=C/Cl)[C@H](Cl)C[C@@H]1Cl- InChIKey
UIRLQTKDEMKKKG-QWDTXXANSA-N- Molecular formula
- C10H14Cl4
- Average molar mass
- 276 g/mol
- Monoisotopic mass
- 273.984961
Names & identifiers
- Preferred name
- Gelidene
- IUPAC
- (1S,2S,4R,5S)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
Names & synonyms
Gelidene123805-38-9(1S,2S,4R,5S)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexaneCyclohexane, 1,2,4-trichloro-5-(2-chloroethenyl)-1,5-dimethyl-, (1S-(1alpha,2beta,4beta,5alpha(E)))-(1S,2S,4R,5S)-1,2,4-trichloro-5-((E)-2-chloroethenyl)-1,5-dimethylcyclohexaneRefChem:142830SCHEMBL31038659
Database identifiers
- CAS
123805-38-9- PubChem CID
- 6442452
- Nikkaji
- J412.312C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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