1-chloro-3-ethylcyclopentane

C7H13Cl — CID 19106586

IUPAC1-chloro-3-ethylcyclopentane
SMILESCCC1CCC(Cl)C1
InChIInChI=1S/C7H13Cl/c1-2-6-3-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyHKNNICDDNKDXKD-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.80
Rot. Bonds1

About 1-chloro-3-ethylcyclopentane

1-chloro-3-ethylcyclopentane (PubChem CID 19106586) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-chloro-3-ethylcyclopentane.

Molecular Properties

Compound Name1-chloro-3-ethylcyclopentane
PubChem CID19106586
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-chloro-3-ethylcyclopentane
SMILESCCC1CCC(Cl)C1
InChIInChI=1S/C7H13Cl/c1-2-6-3-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKeyHKNNICDDNKDXKD-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-chloro-3-ethylcyclopentane?
The IUPAC name of 1-chloro-3-ethylcyclopentane (CID 19106586) is 1-chloro-3-ethylcyclopentane.
What is the SMILES notation for 1-chloro-3-ethylcyclopentane?
The canonical SMILES for 1-chloro-3-ethylcyclopentane is CCC1CCC(Cl)C1.
What is the InChIKey of 1-chloro-3-ethylcyclopentane?
The InChIKey is HKNNICDDNKDXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-2-6-3-4-7(8)5-6/h6-7H,2-5H2,1H3.
What are the key properties of 1-chloro-3-ethylcyclopentane?
1-chloro-3-ethylcyclopentane 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-chloro-3-ethylcyclopentane is sourced from PubChem (CID 19106586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).