3-ethenoxy-3-ethyloxetane

C7H12O2 — CID 68625638

IUPAC3-ethenoxy-3-ethyloxetane
SMILESC=COC1(CC)COC1
InChIInChI=1S/C7H12O2/c1-3-7(9-4-2)5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyGTNKJQXLBLBVST-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds3

About 3-ethenoxy-3-ethyloxetane

3-ethenoxy-3-ethyloxetane (PubChem CID 68625638) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethenoxy-3-ethyloxetane.

Molecular Properties

Compound Name3-ethenoxy-3-ethyloxetane
PubChem CID68625638
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-ethenoxy-3-ethyloxetane
SMILESC=COC1(CC)COC1
InChIInChI=1S/C7H12O2/c1-3-7(9-4-2)5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyGTNKJQXLBLBVST-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-ethyloxetane?
The IUPAC name of 3-ethenoxy-3-ethyloxetane (CID 68625638) is 3-ethenoxy-3-ethyloxetane.
What is the SMILES notation for 3-ethenoxy-3-ethyloxetane?
The canonical SMILES for 3-ethenoxy-3-ethyloxetane is C=COC1(CC)COC1.
What is the InChIKey of 3-ethenoxy-3-ethyloxetane?
The InChIKey is GTNKJQXLBLBVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(9-4-2)5-8-6-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-ethenoxy-3-ethyloxetane?
3-ethenoxy-3-ethyloxetane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-3-ethyloxetane is sourced from PubChem (CID 68625638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).