1,1,6,6-tetrachlorohexane

C6H10Cl4 — CID 87407260

IUPAC1,1,6,6-tetrachlorohexane
SMILESClC(Cl)CCCCC(Cl)Cl
InChIInChI=1S/C6H10Cl4/c7-5(8)3-1-2-4-6(9)10/h5-6H,1-4H2
InChIKeyACSNWXUMKJZXIB-UHFFFAOYSA-N
MW223.96 g/mol
LogP4.15
Rot. Bonds5

About 1,1,6,6-tetrachlorohexane

1,1,6,6-tetrachlorohexane (PubChem CID 87407260) has the molecular formula C6H10Cl4 and a molecular weight of 223.96 g/mol. Its IUPAC name is 1,1,6,6-tetrachlorohexane.

Molecular Properties

Compound Name1,1,6,6-tetrachlorohexane
PubChem CID87407260
Molecular FormulaC6H10Cl4
Molecular Weight223.96 g/mol
Exact Mass221.95
IUPAC Name1,1,6,6-tetrachlorohexane
SMILESClC(Cl)CCCCC(Cl)Cl
InChIInChI=1S/C6H10Cl4/c7-5(8)3-1-2-4-6(9)10/h5-6H,1-4H2
InChIKeyACSNWXUMKJZXIB-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.96
LogP ≤ 54.15
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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Related Compounds

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CID 170843671
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CID 76519424
1,1-dichloroheptane
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CID 18674567
1,1-dichloro-4-fluorobutane
CID 22321169
1,5,5-trichloropentan-1-amine
CID 57159022
1,1-dichloropentane;gallane
CID 174452216
1,1-dichloro-6-fluorooctane
CID 88501273
22,22-dichlorodocosyl(methyl)silane
CID 170842182
19,19-dichlorononadec-1-yne
CID 88635184
10,10-dichlorodecyl(methyl)silane
CID 57370743
CID 88751239
CID 88751239

Frequently Asked Questions

What is the IUPAC name of 1,1,6,6-tetrachlorohexane?
The IUPAC name of 1,1,6,6-tetrachlorohexane (CID 87407260) is 1,1,6,6-tetrachlorohexane.
What is the SMILES notation for 1,1,6,6-tetrachlorohexane?
The canonical SMILES for 1,1,6,6-tetrachlorohexane is ClC(Cl)CCCCC(Cl)Cl.
What is the InChIKey of 1,1,6,6-tetrachlorohexane?
The InChIKey is ACSNWXUMKJZXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl4/c7-5(8)3-1-2-4-6(9)10/h5-6H,1-4H2.
What are the key properties of 1,1,6,6-tetrachlorohexane?
1,1,6,6-tetrachlorohexane has a molecular weight of 223.96 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,6,6-tetrachlorohexane is sourced from PubChem (CID 87407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).