1,2-dichlorohexane

C6H12Cl2 — CID 16550

IUPAC1,2-dichlorohexane
SMILESCCCCC(Cl)CCl
InChIInChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKeyZHFXSKJYCSWRJA-UHFFFAOYSA-N
MW155.07 g/mol
LogP3.02
Rot. Bonds4

About 1,2-dichlorohexane

1,2-dichlorohexane (PubChem CID 16550) has the molecular formula C6H12Cl2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 1,2-dichlorohexane.

Molecular Properties

Compound Name1,2-dichlorohexane
PubChem CID16550
Molecular FormulaC6H12Cl2
Molecular Weight155.07 g/mol
Exact Mass154.03
IUPAC Name1,2-dichlorohexane
SMILESCCCCC(Cl)CCl
InChIInChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKeyZHFXSKJYCSWRJA-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-Dichlorobutane
CID 24233
1,2-Dichlorobutane
CID 12017
1-Chloropentane
CID 10977
1,5-Dichloropentane
CID 12353
1,6-Dichlorohexane
CID 16551
2-Chloropentane
CID 12245
1,3-Dichlorobutane
CID 14480
1-Chlorohexane
CID 10992
1-Chloroheptane
CID 12371
Hexane, 2-chloro-
CID 12521
3-Chlorohexane
CID 33016
1,7-Dichloroheptane
CID 69965

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorohexane?
The IUPAC name of 1,2-dichlorohexane (CID 16550) is 1,2-dichlorohexane.
What is the SMILES notation for 1,2-dichlorohexane?
The canonical SMILES for 1,2-dichlorohexane is CCCCC(Cl)CCl.
What is the InChIKey of 1,2-dichlorohexane?
The InChIKey is ZHFXSKJYCSWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3.
What are the key properties of 1,2-dichlorohexane?
1,2-dichlorohexane has a molecular weight of 155.07 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorohexane is sourced from PubChem (CID 16550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).