ethene;1,2,3,4,5,6-hexachlorocyclohexane

C8H10Cl6 — CID 22457055

IUPACethene;1,2,3,4,5,6-hexachlorocyclohexane
SMILESC=C.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl6.C2H4/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-6H;1-2H2
InChIKeyOPVWDONOVZBVGD-UHFFFAOYSA-N
MW318.89 g/mol
LogP4.45
Rot. Bonds

About ethene;1,2,3,4,5,6-hexachlorocyclohexane

ethene;1,2,3,4,5,6-hexachlorocyclohexane (PubChem CID 22457055) has the molecular formula C8H10Cl6 and a molecular weight of 318.89 g/mol. Its IUPAC name is ethene;1,2,3,4,5,6-hexachlorocyclohexane.

Molecular Properties

Compound Nameethene;1,2,3,4,5,6-hexachlorocyclohexane
PubChem CID22457055
Molecular FormulaC8H10Cl6
Molecular Weight318.89 g/mol
Exact Mass315.89
IUPAC Nameethene;1,2,3,4,5,6-hexachlorocyclohexane
SMILESC=C.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
InChIInChI=1S/C6H6Cl6.C2H4/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-6H;1-2H2
InChIKeyOPVWDONOVZBVGD-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1,2,3,4,5,6-hexachlorocyclohexane?
The IUPAC name of ethene;1,2,3,4,5,6-hexachlorocyclohexane (CID 22457055) is ethene;1,2,3,4,5,6-hexachlorocyclohexane.
What is the SMILES notation for ethene;1,2,3,4,5,6-hexachlorocyclohexane?
The canonical SMILES for ethene;1,2,3,4,5,6-hexachlorocyclohexane is C=C.ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.
What is the InChIKey of ethene;1,2,3,4,5,6-hexachlorocyclohexane?
The InChIKey is OPVWDONOVZBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C2H4/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-2/h1-6H;1-2H2.
What are the key properties of ethene;1,2,3,4,5,6-hexachlorocyclohexane?
ethene;1,2,3,4,5,6-hexachlorocyclohexane has a molecular weight of 318.89 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,2,3,4,5,6-hexachlorocyclohexane is sourced from PubChem (CID 22457055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).