1-chloro-3-ethenoxycyclopentane

C7H11ClO — CID 22186206

IUPAC1-chloro-3-ethenoxycyclopentane
SMILESC=COC1CCC(Cl)C1
InChIInChI=1S/C7H11ClO/c1-2-9-7-4-3-6(8)5-7/h2,6-7H,1,3-5H2
InChIKeyTVPDPIVFYJPMFZ-UHFFFAOYSA-N
MW146.62 g/mol
LogP2.31
Rot. Bonds2

About 1-chloro-3-ethenoxycyclopentane

1-chloro-3-ethenoxycyclopentane (PubChem CID 22186206) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-chloro-3-ethenoxycyclopentane.

Molecular Properties

Compound Name1-chloro-3-ethenoxycyclopentane
PubChem CID22186206
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name1-chloro-3-ethenoxycyclopentane
SMILESC=COC1CCC(Cl)C1
InChIInChI=1S/C7H11ClO/c1-2-9-7-4-3-6(8)5-7/h2,6-7H,1,3-5H2
InChIKeyTVPDPIVFYJPMFZ-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethenoxycyclopentane?
The IUPAC name of 1-chloro-3-ethenoxycyclopentane (CID 22186206) is 1-chloro-3-ethenoxycyclopentane.
What is the SMILES notation for 1-chloro-3-ethenoxycyclopentane?
The canonical SMILES for 1-chloro-3-ethenoxycyclopentane is C=COC1CCC(Cl)C1.
What is the InChIKey of 1-chloro-3-ethenoxycyclopentane?
The InChIKey is TVPDPIVFYJPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-9-7-4-3-6(8)5-7/h2,6-7H,1,3-5H2.
What are the key properties of 1-chloro-3-ethenoxycyclopentane?
1-chloro-3-ethenoxycyclopentane has a molecular weight of 146.62 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethenoxycyclopentane is sourced from PubChem (CID 22186206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).