2-ethenyl-5-(oxiran-2-yl)oxane

C9H14O2 — CID 90471876

IUPAC2-ethenyl-5-(oxiran-2-yl)oxane
SMILESC=CC1CCC(C2CO2)CO1
InChIInChI=1S/C9H14O2/c1-2-8-4-3-7(5-10-8)9-6-11-9/h2,7-9H,1,3-6H2
InChIKeySJVGEDZASSDIBS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.37
Rot. Bonds2

About 2-ethenyl-5-(oxiran-2-yl)oxane

2-ethenyl-5-(oxiran-2-yl)oxane (PubChem CID 90471876) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethenyl-5-(oxiran-2-yl)oxane.

Molecular Properties

Compound Name2-ethenyl-5-(oxiran-2-yl)oxane
PubChem CID90471876
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethenyl-5-(oxiran-2-yl)oxane
SMILESC=CC1CCC(C2CO2)CO1
InChIInChI=1S/C9H14O2/c1-2-8-4-3-7(5-10-8)9-6-11-9/h2,7-9H,1,3-6H2
InChIKeySJVGEDZASSDIBS-UHFFFAOYSA-N
XLogP1.37
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(oxiran-2-yl)oxane?
The IUPAC name of 2-ethenyl-5-(oxiran-2-yl)oxane (CID 90471876) is 2-ethenyl-5-(oxiran-2-yl)oxane.
What is the SMILES notation for 2-ethenyl-5-(oxiran-2-yl)oxane?
The canonical SMILES for 2-ethenyl-5-(oxiran-2-yl)oxane is C=CC1CCC(C2CO2)CO1.
What is the InChIKey of 2-ethenyl-5-(oxiran-2-yl)oxane?
The InChIKey is SJVGEDZASSDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-8-4-3-7(5-10-8)9-6-11-9/h2,7-9H,1,3-6H2.
What are the key properties of 2-ethenyl-5-(oxiran-2-yl)oxane?
2-ethenyl-5-(oxiran-2-yl)oxane has a molecular weight of 154.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(oxiran-2-yl)oxane is sourced from PubChem (CID 90471876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).