2-(oxiran-2-yl)oxolane

C6H10O2 — CID 18759351

IUPAC2-(oxiran-2-yl)oxolane
SMILESC1COC(C2CO2)C1
InChIInChI=1S/C6H10O2/c1-2-5(7-3-1)6-4-8-6/h5-6H,1-4H2
InChIKeyVONIIIGNMROHOI-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds1

About 2-(oxiran-2-yl)oxolane

2-(oxiran-2-yl)oxolane (PubChem CID 18759351) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(oxiran-2-yl)oxolane.

Molecular Properties

Compound Name2-(oxiran-2-yl)oxolane
PubChem CID18759351
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(oxiran-2-yl)oxolane
SMILESC1COC(C2CO2)C1
InChIInChI=1S/C6H10O2/c1-2-5(7-3-1)6-4-8-6/h5-6H,1-4H2
InChIKeyVONIIIGNMROHOI-UHFFFAOYSA-N
XLogP0.56
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)oxolane?
The IUPAC name of 2-(oxiran-2-yl)oxolane (CID 18759351) is 2-(oxiran-2-yl)oxolane.
What is the SMILES notation for 2-(oxiran-2-yl)oxolane?
The canonical SMILES for 2-(oxiran-2-yl)oxolane is C1COC(C2CO2)C1.
What is the InChIKey of 2-(oxiran-2-yl)oxolane?
The InChIKey is VONIIIGNMROHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5(7-3-1)6-4-8-6/h5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-yl)oxolane?
2-(oxiran-2-yl)oxolane has a molecular weight of 114.14 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)oxolane is sourced from PubChem (CID 18759351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).