3-(ethenoxymethyl)-3-methyloxetane

C7H12O2 — CID 23149522

IUPAC3-(ethenoxymethyl)-3-methyloxetane
SMILESC=COCC1(C)COC1
InChIInChI=1S/C7H12O2/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3
InChIKeyQJMILNYJDNREGS-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.18
Rot. Bonds3

About 3-(ethenoxymethyl)-3-methyloxetane

3-(ethenoxymethyl)-3-methyloxetane (PubChem CID 23149522) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(ethenoxymethyl)-3-methyloxetane
PubChem CID23149522
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(ethenoxymethyl)-3-methyloxetane
SMILESC=COCC1(C)COC1
InChIInChI=1S/C7H12O2/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3
InChIKeyQJMILNYJDNREGS-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.18
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)-3-methyloxetane?
The IUPAC name of 3-(ethenoxymethyl)-3-methyloxetane (CID 23149522) is 3-(ethenoxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(ethenoxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(ethenoxymethyl)-3-methyloxetane is C=COCC1(C)COC1.
What is the InChIKey of 3-(ethenoxymethyl)-3-methyloxetane?
The InChIKey is QJMILNYJDNREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-8-4-7(2)5-9-6-7/h3H,1,4-6H2,2H3.
What are the key properties of 3-(ethenoxymethyl)-3-methyloxetane?
3-(ethenoxymethyl)-3-methyloxetane has a molecular weight of 128.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenoxymethyl)-3-methyloxetane is sourced from PubChem (CID 23149522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).