3-(2-ethenoxypropoxymethyl)-3-ethyloxetane

C11H20O3 — CID 154371542

IUPAC3-(2-ethenoxypropoxymethyl)-3-ethyloxetane
SMILESC=COC(C)COCC1(CC)COC1
InChIInChI=1S/C11H20O3/c1-4-11(8-13-9-11)7-12-6-10(3)14-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyAUFBWNBADZYDIG-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.98
Rot. Bonds7

About 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane

3-(2-ethenoxypropoxymethyl)-3-ethyloxetane (PubChem CID 154371542) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(2-ethenoxypropoxymethyl)-3-ethyloxetane
PubChem CID154371542
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name3-(2-ethenoxypropoxymethyl)-3-ethyloxetane
SMILESC=COC(C)COCC1(CC)COC1
InChIInChI=1S/C11H20O3/c1-4-11(8-13-9-11)7-12-6-10(3)14-5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyAUFBWNBADZYDIG-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.98
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-(2-ethenoxypropoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane (CID 154371542) is 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane is C=COC(C)COCC1(CC)COC1.
What is the InChIKey of 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane?
The InChIKey is AUFBWNBADZYDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-11(8-13-9-11)7-12-6-10(3)14-5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane?
3-(2-ethenoxypropoxymethyl)-3-ethyloxetane has a molecular weight of 200.28 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxypropoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 154371542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).