3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane

C11H20O2 — CID 152658174

IUPAC3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane
SMILESCC=C(C)OCCC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-4-10(3)13-7-6-11(5-2)8-12-9-11/h4H,5-9H2,1-3H3
InChIKeyZIYXVGVYDOVAOD-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds5

About 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane

3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane (PubChem CID 152658174) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane
PubChem CID152658174
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane
SMILESCC=C(C)OCCC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-4-10(3)13-7-6-11(5-2)8-12-9-11/h4H,5-9H2,1-3H3
InChIKeyZIYXVGVYDOVAOD-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane?
The IUPAC name of 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane (CID 152658174) is 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane?
The canonical SMILES for 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane is CC=C(C)OCCC1(CC)COC1.
What is the InChIKey of 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane?
The InChIKey is ZIYXVGVYDOVAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10(3)13-7-6-11(5-2)8-12-9-11/h4H,5-9H2,1-3H3.
What are the key properties of 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane?
3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-2-en-2-yloxyethyl)-3-ethyloxetane is sourced from PubChem (CID 152658174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).