1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane

C8H12Cl4O2 — CID 23273972

IUPAC1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane
SMILESCOC1C(Cl)C(Cl)C(Cl)C(Cl)C1OC
InChIInChI=1S/C8H12Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h3-8H,1-2H3
InChIKeyHVDOBUIEECQYKE-UHFFFAOYSA-N
MW281.99 g/mol
LogP2.46
Rot. Bonds2

About 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane

1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane (PubChem CID 23273972) has the molecular formula C8H12Cl4O2 and a molecular weight of 281.99 g/mol. Its IUPAC name is 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane.

Molecular Properties

Compound Name1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane
PubChem CID23273972
Molecular FormulaC8H12Cl4O2
Molecular Weight281.99 g/mol
Exact Mass279.96
IUPAC Name1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane
SMILESCOC1C(Cl)C(Cl)C(Cl)C(Cl)C1OC
InChIInChI=1S/C8H12Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h3-8H,1-2H3
InChIKeyHVDOBUIEECQYKE-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.99
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane?
The IUPAC name of 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane (CID 23273972) is 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane.
What is the SMILES notation for 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane?
The canonical SMILES for 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane is COC1C(Cl)C(Cl)C(Cl)C(Cl)C1OC.
What is the InChIKey of 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane?
The InChIKey is HVDOBUIEECQYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h3-8H,1-2H3.
What are the key properties of 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane?
1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane has a molecular weight of 281.99 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrachloro-5,6-dimethoxycyclohexane is sourced from PubChem (CID 23273972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).