3-ethenoxy-4-methoxyoxolane

C7H12O3 — CID 102248169

IUPAC3-ethenoxy-4-methoxyoxolane
SMILESC=COC1COCC1OC
InChIInChI=1S/C7H12O3/c1-3-10-7-5-9-4-6(7)8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyGSKIQDUMPASOTO-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.56
Rot. Bonds3

About 3-ethenoxy-4-methoxyoxolane

3-ethenoxy-4-methoxyoxolane (PubChem CID 102248169) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-ethenoxy-4-methoxyoxolane.

Molecular Properties

Compound Name3-ethenoxy-4-methoxyoxolane
PubChem CID102248169
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-ethenoxy-4-methoxyoxolane
SMILESC=COC1COCC1OC
InChIInChI=1S/C7H12O3/c1-3-10-7-5-9-4-6(7)8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyGSKIQDUMPASOTO-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-4-methoxyoxolane?
The IUPAC name of 3-ethenoxy-4-methoxyoxolane (CID 102248169) is 3-ethenoxy-4-methoxyoxolane.
What is the SMILES notation for 3-ethenoxy-4-methoxyoxolane?
The canonical SMILES for 3-ethenoxy-4-methoxyoxolane is C=COC1COCC1OC.
What is the InChIKey of 3-ethenoxy-4-methoxyoxolane?
The InChIKey is GSKIQDUMPASOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-10-7-5-9-4-6(7)8-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 3-ethenoxy-4-methoxyoxolane?
3-ethenoxy-4-methoxyoxolane has a molecular weight of 144.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-4-methoxyoxolane is sourced from PubChem (CID 102248169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).