1,2-dichloroethylcyclopentane

C7H12Cl2 — CID 139745616

IUPAC1,2-dichloroethylcyclopentane
SMILESClCC(Cl)C1CCCC1
InChIInChI=1S/C7H12Cl2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyVNHSZPUZRJJEFJ-UHFFFAOYSA-N
MW167.08 g/mol
LogP3.02
Rot. Bonds2

About 1,2-dichloroethylcyclopentane

1,2-dichloroethylcyclopentane (PubChem CID 139745616) has the molecular formula C7H12Cl2 and a molecular weight of 167.08 g/mol. Its IUPAC name is 1,2-dichloroethylcyclopentane.

Molecular Properties

Compound Name1,2-dichloroethylcyclopentane
PubChem CID139745616
Molecular FormulaC7H12Cl2
Molecular Weight167.08 g/mol
Exact Mass166.03
IUPAC Name1,2-dichloroethylcyclopentane
SMILESClCC(Cl)C1CCCC1
InChIInChI=1S/C7H12Cl2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyVNHSZPUZRJJEFJ-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.08
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethylcyclopentane?
The IUPAC name of 1,2-dichloroethylcyclopentane (CID 139745616) is 1,2-dichloroethylcyclopentane.
What is the SMILES notation for 1,2-dichloroethylcyclopentane?
The canonical SMILES for 1,2-dichloroethylcyclopentane is ClCC(Cl)C1CCCC1.
What is the InChIKey of 1,2-dichloroethylcyclopentane?
The InChIKey is VNHSZPUZRJJEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5H2.
What are the key properties of 1,2-dichloroethylcyclopentane?
1,2-dichloroethylcyclopentane has a molecular weight of 167.08 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethylcyclopentane is sourced from PubChem (CID 139745616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).