1,1,2,2-tetrachlorooctane

C8H14Cl4 — CID 18402260

IUPAC1,1,2,2-tetrachlorooctane
SMILESCCCCCCC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C8H14Cl4/c1-2-3-4-5-6-8(11,12)7(9)10/h7H,2-6H2,1H3
InChIKeyUWGWSWCILCBPOY-UHFFFAOYSA-N
MW252.01 g/mol
LogP4.93
Rot. Bonds6

About 1,1,2,2-tetrachlorooctane

1,1,2,2-tetrachlorooctane (PubChem CID 18402260) has the molecular formula C8H14Cl4 and a molecular weight of 252.01 g/mol. Its IUPAC name is 1,1,2,2-tetrachlorooctane.

Molecular Properties

Compound Name1,1,2,2-tetrachlorooctane
PubChem CID18402260
Molecular FormulaC8H14Cl4
Molecular Weight252.01 g/mol
Exact Mass249.98
IUPAC Name1,1,2,2-tetrachlorooctane
SMILESCCCCCCC(Cl)(Cl)C(Cl)Cl
InChIInChI=1S/C8H14Cl4/c1-2-3-4-5-6-8(11,12)7(9)10/h7H,2-6H2,1H3
InChIKeyUWGWSWCILCBPOY-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrachlorooctane?
The IUPAC name of 1,1,2,2-tetrachlorooctane (CID 18402260) is 1,1,2,2-tetrachlorooctane.
What is the SMILES notation for 1,1,2,2-tetrachlorooctane?
The canonical SMILES for 1,1,2,2-tetrachlorooctane is CCCCCCC(Cl)(Cl)C(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachlorooctane?
The InChIKey is UWGWSWCILCBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl4/c1-2-3-4-5-6-8(11,12)7(9)10/h7H,2-6H2,1H3.
What are the key properties of 1,1,2,2-tetrachlorooctane?
1,1,2,2-tetrachlorooctane has a molecular weight of 252.01 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachlorooctane is sourced from PubChem (CID 18402260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).