3-(ethenoxymethyl)oxetane

C6H10O2 — CID 68773686

IUPAC3-(ethenoxymethyl)oxetane
SMILESC=COCC1COC1
InChIInChI=1S/C6H10O2/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2
InChIKeyOGGMJWUWCGYZQN-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.79
Rot. Bonds3

About 3-(ethenoxymethyl)oxetane

3-(ethenoxymethyl)oxetane (PubChem CID 68773686) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-(ethenoxymethyl)oxetane.

Molecular Properties

Compound Name3-(ethenoxymethyl)oxetane
PubChem CID68773686
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-(ethenoxymethyl)oxetane
SMILESC=COCC1COC1
InChIInChI=1S/C6H10O2/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2
InChIKeyOGGMJWUWCGYZQN-UHFFFAOYSA-N
XLogP0.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.79
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-(ethenoxymethyl)oxetane?
The IUPAC name of 3-(ethenoxymethyl)oxetane (CID 68773686) is 3-(ethenoxymethyl)oxetane.
What is the SMILES notation for 3-(ethenoxymethyl)oxetane?
The canonical SMILES for 3-(ethenoxymethyl)oxetane is C=COCC1COC1.
What is the InChIKey of 3-(ethenoxymethyl)oxetane?
The InChIKey is OGGMJWUWCGYZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-7-3-6-4-8-5-6/h2,6H,1,3-5H2.
What are the key properties of 3-(ethenoxymethyl)oxetane?
3-(ethenoxymethyl)oxetane has a molecular weight of 114.14 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)oxetane is sourced from PubChem (CID 68773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).