3-(ethenoxymethyl)-3-(methoxymethyl)oxetane

C8H14O3 — CID 118053322

IUPAC3-(ethenoxymethyl)-3-(methoxymethyl)oxetane
SMILESC=COCC1(COC)COC1
InChIInChI=1S/C8H14O3/c1-3-10-5-8(4-9-2)6-11-7-8/h3H,1,4-7H2,2H3
InChIKeyRSDKINBRSQBRBJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.81
Rot. Bonds5

About 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane

3-(ethenoxymethyl)-3-(methoxymethyl)oxetane (PubChem CID 118053322) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-(methoxymethyl)oxetane
PubChem CID118053322
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-(ethenoxymethyl)-3-(methoxymethyl)oxetane
SMILESC=COCC1(COC)COC1
InChIInChI=1S/C8H14O3/c1-3-10-5-8(4-9-2)6-11-7-8/h3H,1,4-7H2,2H3
InChIKeyRSDKINBRSQBRBJ-UHFFFAOYSA-N
XLogP0.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.81
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-(ethenoxymethyl)-3-(methoxymethyl)oxetane?
The IUPAC name of 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane (CID 118053322) is 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane?
The canonical SMILES for 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane is C=COCC1(COC)COC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane?
The InChIKey is RSDKINBRSQBRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-5-8(4-9-2)6-11-7-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane?
3-(ethenoxymethyl)-3-(methoxymethyl)oxetane has a molecular weight of 158.20 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-(methoxymethyl)oxetane is sourced from PubChem (CID 118053322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).