3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane

C14H22O3 — CID 68625637

IUPAC3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane
SMILESCCC1(C=COC=CC2(CC)COC2)COC1
InChIInChI=1S/C14H22O3/c1-3-13(9-16-10-13)5-7-15-8-6-14(4-2)11-17-12-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyICNXPHWYZQTSPC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.88
Rot. Bonds6

About 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane

3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane (PubChem CID 68625637) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane
PubChem CID68625637
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane
SMILESCCC1(C=COC=CC2(CC)COC2)COC1
InChIInChI=1S/C14H22O3/c1-3-13(9-16-10-13)5-7-15-8-6-14(4-2)11-17-12-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyICNXPHWYZQTSPC-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.88
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-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane?
The IUPAC name of 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane (CID 68625637) is 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane?
The canonical SMILES for 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane is CCC1(C=COC=CC2(CC)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane?
The InChIKey is ICNXPHWYZQTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-13(9-16-10-13)5-7-15-8-6-14(4-2)11-17-12-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane?
3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane has a molecular weight of 238.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[2-[2-(3-ethyloxetan-3-yl)ethenoxy]ethenyl]oxetane is sourced from PubChem (CID 68625637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).