dichloromethylcyclohexane

C7H12Cl2 — CID 13066179

IUPACdichloromethylcyclohexane
SMILESClC(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyWUIZXVIJYDEKPU-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.37
Rot. Bonds1

About dichloromethylcyclohexane

dichloromethylcyclohexane (PubChem CID 13066179) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is dichloromethylcyclohexane.

Molecular Properties

Compound Namedichloromethylcyclohexane
PubChem CID13066179
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Namedichloromethylcyclohexane
SMILESClC(Cl)C1CCCCC1
InChIInChI=1S/C7H12Cl2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKeyWUIZXVIJYDEKPU-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
LogP ≤ 53.37
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 dichloromethylcyclohexane?
The IUPAC name of dichloromethylcyclohexane (CID 13066179) is dichloromethylcyclohexane.
What is the SMILES notation for dichloromethylcyclohexane?
The canonical SMILES for dichloromethylcyclohexane is ClC(Cl)C1CCCCC1.
What is the InChIKey of dichloromethylcyclohexane?
The InChIKey is WUIZXVIJYDEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-7(9)6-4-2-1-3-5-6/h6-7H,1-5H2.
What are the key properties of dichloromethylcyclohexane?
dichloromethylcyclohexane has a molecular weight of 167.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylcyclohexane is sourced from PubChem (CID 13066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).