(1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane

Base Information

• Chemical Name: (1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
• CAS No.: 119945-08-3
• Molecular Formula: C10H14 Cl4
• Molecular Weight: 276.03
• DSSTox Substance ID: DTXSID00424287
• Nikkaji Number: J372.956G
• Wikidata: Q82236801
• Metabolomics Workbench ID: 143803
• ChEMBL ID: CHEMBL2271709
• Mol file: 119945-08-3.mol

Synonyms:Aplysiaterpenoid A;119945-08-3;(1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane;2beta,4beta,5alpha-Trichloro-1alpha-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane;BIDD:ER0326;SCHEMBL2768066;CHEMBL2271709;DTXSID00424287;(1r,2s,4r,5r)-2,4,5-trichloro-1-e-chlorovinyl-1,5-dimethylcyclo-hexane;(1R,2R,4S,5R)-1,2,4-Trichloro-5-((E)-2-chloro-vinyl)-1,5-dimethyl-cyclohexane;(1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chlorovinyl]-1,5-dimethyl-cyclohexane

Chemical Property of (1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane

Chemical Property:

• PSA: 0.00000
• LogP: 4.75130
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 275.982011
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C(CC1Cl)Cl)(C)Cl)C=CCl
• Isomeric SMILES: C[C@@]1(C[C@@]([C@@H](C[C@@H]1Cl)Cl)(C)Cl)/C=C/Cl