3-(1-ethenoxyethyl)-3-ethyloxetane

C9H16O2 — CID 175031746

IUPAC3-(1-ethenoxyethyl)-3-ethyloxetane
SMILESC=COC(C)C1(CC)COC1
InChIInChI=1S/C9H16O2/c1-4-9(6-10-7-9)8(3)11-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyOVVMGRQMCWTURG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 3-(1-ethenoxyethyl)-3-ethyloxetane

3-(1-ethenoxyethyl)-3-ethyloxetane (PubChem CID 175031746) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(1-ethenoxyethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(1-ethenoxyethyl)-3-ethyloxetane
PubChem CID175031746
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(1-ethenoxyethyl)-3-ethyloxetane
SMILESC=COC(C)C1(CC)COC1
InChIInChI=1S/C9H16O2/c1-4-9(6-10-7-9)8(3)11-5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyOVVMGRQMCWTURG-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
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-(1-ethenoxyethyl)-3-ethyloxetane?
The IUPAC name of 3-(1-ethenoxyethyl)-3-ethyloxetane (CID 175031746) is 3-(1-ethenoxyethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(1-ethenoxyethyl)-3-ethyloxetane?
The canonical SMILES for 3-(1-ethenoxyethyl)-3-ethyloxetane is C=COC(C)C1(CC)COC1.
What is the InChIKey of 3-(1-ethenoxyethyl)-3-ethyloxetane?
The InChIKey is OVVMGRQMCWTURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(6-10-7-9)8(3)11-5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 3-(1-ethenoxyethyl)-3-ethyloxetane?
3-(1-ethenoxyethyl)-3-ethyloxetane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenoxyethyl)-3-ethyloxetane is sourced from PubChem (CID 175031746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).