1,1,1,2,2,2-hexachloroethane;1,4-xylene

C10H10Cl6 — CID 174736930

IUPAC1,1,1,2,2,2-hexachloroethane;1,4-xylene
SMILESCc1ccc(C)cc1.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10.C2Cl6/c1-7-3-5-8(2)6-4-7;3-1(4,5)2(6,7)8/h3-6H,1-2H3;
InChIKeyIURHCGZEXFGVCK-UHFFFAOYSA-N
MW342.91 g/mol
LogP6.03
Rot. Bonds

About 1,1,1,2,2,2-hexachloroethane;1,4-xylene

1,1,1,2,2,2-hexachloroethane;1,4-xylene (PubChem CID 174736930) has the molecular formula C10H10Cl6 and a molecular weight of 342.91 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexachloroethane;1,4-xylene.

Molecular Properties

Compound Name1,1,1,2,2,2-hexachloroethane;1,4-xylene
PubChem CID174736930
Molecular FormulaC10H10Cl6
Molecular Weight342.91 g/mol
Exact Mass339.89
IUPAC Name1,1,1,2,2,2-hexachloroethane;1,4-xylene
SMILESCc1ccc(C)cc1.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10.C2Cl6/c1-7-3-5-8(2)6-4-7;3-1(4,5)2(6,7)8/h3-6H,1-2H3;
InChIKeyIURHCGZEXFGVCK-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

dichloro(difluoro)methane;1,4-xylene
CID 161479390
1-[dichloro-(4-methylphenyl)methyl]-4-methylbenzene
CID 11832317
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
ethane;1-methyl-4-[1,1,2,2-tetrachloro-2-(4-methylphenyl)ethyl]benzene
CID 90984706
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
benzene;tetrachloromethane;toluene
CID 172748154
benzene;bis(1,4-xylene)
CID 159472747
potassium;hydride;1,4-xylene
CID 173420414
lithium;hydride;1,4-xylene
CID 173349078
2-chloro-2-methylpropane;toluene
CID 67707971

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexachloroethane;1,4-xylene?
The IUPAC name of 1,1,1,2,2,2-hexachloroethane;1,4-xylene (CID 174736930) is 1,1,1,2,2,2-hexachloroethane;1,4-xylene.
What is the SMILES notation for 1,1,1,2,2,2-hexachloroethane;1,4-xylene?
The canonical SMILES for 1,1,1,2,2,2-hexachloroethane;1,4-xylene is Cc1ccc(C)cc1.ClC(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2,2-hexachloroethane;1,4-xylene?
The InChIKey is IURHCGZEXFGVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2Cl6/c1-7-3-5-8(2)6-4-7;3-1(4,5)2(6,7)8/h3-6H,1-2H3;.
What are the key properties of 1,1,1,2,2,2-hexachloroethane;1,4-xylene?
1,1,1,2,2,2-hexachloroethane;1,4-xylene has a molecular weight of 342.91 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexachloroethane;1,4-xylene is sourced from PubChem (CID 174736930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).