1,3-dichlorocyclohexane

C6H10Cl2 — CID 557105

IUPAC1,3-dichlorocyclohexane
SMILESClC1CCCC(Cl)C1
InChIInChI=1S/C6H10Cl2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2
InChIKeyHXWLCXAXTOJPJL-UHFFFAOYSA-N
MW153.05 g/mol
LogP2.78
Rot. Bonds

About 1,3-dichlorocyclohexane

1,3-dichlorocyclohexane (PubChem CID 557105) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is 1,3-dichlorocyclohexane.

Molecular Properties

Compound Name1,3-dichlorocyclohexane
PubChem CID557105
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name1,3-dichlorocyclohexane
SMILESClC1CCCC(Cl)C1
InChIInChI=1S/C6H10Cl2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2
InChIKeyHXWLCXAXTOJPJL-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,3-dichlorocyclohexane?
The IUPAC name of 1,3-dichlorocyclohexane (CID 557105) is 1,3-dichlorocyclohexane.
What is the SMILES notation for 1,3-dichlorocyclohexane?
The canonical SMILES for 1,3-dichlorocyclohexane is ClC1CCCC(Cl)C1.
What is the InChIKey of 1,3-dichlorocyclohexane?
The InChIKey is HXWLCXAXTOJPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4H2.
What are the key properties of 1,3-dichlorocyclohexane?
1,3-dichlorocyclohexane has a molecular weight of 153.05 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichlorocyclohexane is sourced from PubChem (CID 557105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).