3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane

C9H16O3 — CID 11401030

IUPAC3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane
SMILESCCC1(COCC2CO2)COC1
InChIInChI=1S/C9H16O3/c1-2-9(6-11-7-9)5-10-3-8-4-12-8/h8H,2-7H2,1H3
InChIKeyPSQWUOJNMMZDKW-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.83
Rot. Bonds5

About 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane

3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane (PubChem CID 11401030) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane
PubChem CID11401030
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane
SMILESCCC1(COCC2CO2)COC1
InChIInChI=1S/C9H16O3/c1-2-9(6-11-7-9)5-10-3-8-4-12-8/h8H,2-7H2,1H3
InChIKeyPSQWUOJNMMZDKW-UHFFFAOYSA-N
XLogP0.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane (CID 11401030) is 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane is CCC1(COCC2CO2)COC1.
What is the InChIKey of 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane?
The InChIKey is PSQWUOJNMMZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-9(6-11-7-9)5-10-3-8-4-12-8/h8H,2-7H2,1H3.
What are the key properties of 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane?
3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane has a molecular weight of 172.22 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(oxiran-2-ylmethoxymethyl)oxetane is sourced from PubChem (CID 11401030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).