1-chloroethylcyclopentane

C7H13Cl — CID 62631953

IUPAC1-chloroethylcyclopentane
SMILESCC(Cl)C1CCCC1
InChIInChI=1S/C7H13Cl/c1-6(8)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyPPMJGHKAOLXBIJ-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.80
Rot. Bonds1

About 1-chloroethylcyclopentane

1-chloroethylcyclopentane (PubChem CID 62631953) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-chloroethylcyclopentane.

Molecular Properties

Compound Name1-chloroethylcyclopentane
PubChem CID62631953
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-chloroethylcyclopentane
SMILESCC(Cl)C1CCCC1
InChIInChI=1S/C7H13Cl/c1-6(8)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyPPMJGHKAOLXBIJ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.80
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-chloroethylcyclopentane?
The IUPAC name of 1-chloroethylcyclopentane (CID 62631953) is 1-chloroethylcyclopentane.
What is the SMILES notation for 1-chloroethylcyclopentane?
The canonical SMILES for 1-chloroethylcyclopentane is CC(Cl)C1CCCC1.
What is the InChIKey of 1-chloroethylcyclopentane?
The InChIKey is PPMJGHKAOLXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6(8)7-4-2-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-chloroethylcyclopentane?
1-chloroethylcyclopentane has a molecular weight of 132.63 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethylcyclopentane is sourced from PubChem (CID 62631953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).