3-(2-chloroethyl)oxolane

C6H11ClO — CID 21411184

IUPAC3-(2-chloroethyl)oxolane
SMILESClCCC1CCOC1
InChIInChI=1S/C6H11ClO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
InChIKeyUAPVJCWLMFDSPP-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.65
Rot. Bonds2

About 3-(2-chloroethyl)oxolane

3-(2-chloroethyl)oxolane (PubChem CID 21411184) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 3-(2-chloroethyl)oxolane.

Molecular Properties

Compound Name3-(2-chloroethyl)oxolane
PubChem CID21411184
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name3-(2-chloroethyl)oxolane
SMILESClCCC1CCOC1
InChIInChI=1S/C6H11ClO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
InChIKeyUAPVJCWLMFDSPP-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(2-chloroethyl)oxolane?
The IUPAC name of 3-(2-chloroethyl)oxolane (CID 21411184) is 3-(2-chloroethyl)oxolane.
What is the SMILES notation for 3-(2-chloroethyl)oxolane?
The canonical SMILES for 3-(2-chloroethyl)oxolane is ClCCC1CCOC1.
What is the InChIKey of 3-(2-chloroethyl)oxolane?
The InChIKey is UAPVJCWLMFDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2.
What are the key properties of 3-(2-chloroethyl)oxolane?
3-(2-chloroethyl)oxolane has a molecular weight of 134.61 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)oxolane is sourced from PubChem (CID 21411184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).