1,6-dichlorohexane

C6H12Cl2 — CID 16551

IUPAC1,6-dichlorohexane
SMILESClCCCCCCCl
InChIInChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKeyOVISMSJCKCDOPU-UHFFFAOYSA-N
MW155.07 g/mol
LogP3.02
Rot. Bonds5

About 1,6-dichlorohexane

1,6-dichlorohexane (PubChem CID 16551) has the molecular formula C6H12Cl2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 1,6-dichlorohexane.

Molecular Properties

Compound Name1,6-dichlorohexane
PubChem CID16551
Molecular FormulaC6H12Cl2
Molecular Weight155.07 g/mol
Exact Mass154.03
IUPAC Name1,6-dichlorohexane
SMILESClCCCCCCCl
InChIInChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKeyOVISMSJCKCDOPU-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 53.02
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 1,6-dichlorohexane?
The IUPAC name of 1,6-dichlorohexane (CID 16551) is 1,6-dichlorohexane.
What is the SMILES notation for 1,6-dichlorohexane?
The canonical SMILES for 1,6-dichlorohexane is ClCCCCCCCl.
What is the InChIKey of 1,6-dichlorohexane?
The InChIKey is OVISMSJCKCDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2.
What are the key properties of 1,6-dichlorohexane?
1,6-dichlorohexane has a molecular weight of 155.07 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichlorohexane is sourced from PubChem (CID 16551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).