4-ethenyl-2-ethoxy-1,3-dioxolane

C7H12O3 — CID 22891802

IUPAC4-ethenyl-2-ethoxy-1,3-dioxolane
SMILESC=CC1COC(OCC)O1
InChIInChI=1S/C7H12O3/c1-3-6-5-9-7(10-6)8-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZGGSTAZNZPAHTR-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds3

About 4-ethenyl-2-ethoxy-1,3-dioxolane

4-ethenyl-2-ethoxy-1,3-dioxolane (PubChem CID 22891802) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-ethenyl-2-ethoxy-1,3-dioxolane.

Molecular Properties

Compound Name4-ethenyl-2-ethoxy-1,3-dioxolane
PubChem CID22891802
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name4-ethenyl-2-ethoxy-1,3-dioxolane
SMILESC=CC1COC(OCC)O1
InChIInChI=1S/C7H12O3/c1-3-6-5-9-7(10-6)8-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZGGSTAZNZPAHTR-UHFFFAOYSA-N
XLogP0.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-ethoxy-1,3-dioxolane?
The IUPAC name of 4-ethenyl-2-ethoxy-1,3-dioxolane (CID 22891802) is 4-ethenyl-2-ethoxy-1,3-dioxolane.
What is the SMILES notation for 4-ethenyl-2-ethoxy-1,3-dioxolane?
The canonical SMILES for 4-ethenyl-2-ethoxy-1,3-dioxolane is C=CC1COC(OCC)O1.
What is the InChIKey of 4-ethenyl-2-ethoxy-1,3-dioxolane?
The InChIKey is ZGGSTAZNZPAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-6-5-9-7(10-6)8-4-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 4-ethenyl-2-ethoxy-1,3-dioxolane?
4-ethenyl-2-ethoxy-1,3-dioxolane has a molecular weight of 144.17 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-ethoxy-1,3-dioxolane is sourced from PubChem (CID 22891802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).