2-(2-chloroethyl)oxolane

C6H11ClO — CID 55301862

IUPAC2-(2-chloroethyl)oxolane
SMILESClCCC1CCCO1
InChIInChI=1S/C6H11ClO/c7-4-3-6-2-1-5-8-6/h6H,1-5H2
InChIKeyQHYBFPVFYFQIDQ-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.79
Rot. Bonds2

About 2-(2-chloroethyl)oxolane

2-(2-chloroethyl)oxolane (PubChem CID 55301862) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-(2-chloroethyl)oxolane.

Molecular Properties

Compound Name2-(2-chloroethyl)oxolane
PubChem CID55301862
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name2-(2-chloroethyl)oxolane
SMILESClCCC1CCCO1
InChIInChI=1S/C6H11ClO/c7-4-3-6-2-1-5-8-6/h6H,1-5H2
InChIKeyQHYBFPVFYFQIDQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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 2-(2-chloroethyl)oxolane?
The IUPAC name of 2-(2-chloroethyl)oxolane (CID 55301862) is 2-(2-chloroethyl)oxolane.
What is the SMILES notation for 2-(2-chloroethyl)oxolane?
The canonical SMILES for 2-(2-chloroethyl)oxolane is ClCCC1CCCO1.
What is the InChIKey of 2-(2-chloroethyl)oxolane?
The InChIKey is QHYBFPVFYFQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c7-4-3-6-2-1-5-8-6/h6H,1-5H2.
What are the key properties of 2-(2-chloroethyl)oxolane?
2-(2-chloroethyl)oxolane has a molecular weight of 134.61 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)oxolane is sourced from PubChem (CID 55301862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).