3-ethyl-2-(prop-2-enoxymethyl)oxetane

C9H16O2 — CID 19376854

IUPAC3-ethyl-2-(prop-2-enoxymethyl)oxetane
SMILESC=CCOCC1OCC1CC
InChIInChI=1S/C9H16O2/c1-3-5-10-7-9-8(4-2)6-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyWVGDXIGQVPJJOC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.61
Rot. Bonds5

About 3-ethyl-2-(prop-2-enoxymethyl)oxetane

3-ethyl-2-(prop-2-enoxymethyl)oxetane (PubChem CID 19376854) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-2-(prop-2-enoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-2-(prop-2-enoxymethyl)oxetane
PubChem CID19376854
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-2-(prop-2-enoxymethyl)oxetane
SMILESC=CCOCC1OCC1CC
InChIInChI=1S/C9H16O2/c1-3-5-10-7-9-8(4-2)6-11-9/h3,8-9H,1,4-7H2,2H3
InChIKeyWVGDXIGQVPJJOC-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(prop-2-enoxymethyl)oxetane?
The IUPAC name of 3-ethyl-2-(prop-2-enoxymethyl)oxetane (CID 19376854) is 3-ethyl-2-(prop-2-enoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-2-(prop-2-enoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-2-(prop-2-enoxymethyl)oxetane is C=CCOCC1OCC1CC.
What is the InChIKey of 3-ethyl-2-(prop-2-enoxymethyl)oxetane?
The InChIKey is WVGDXIGQVPJJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-10-7-9-8(4-2)6-11-9/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-ethyl-2-(prop-2-enoxymethyl)oxetane?
3-ethyl-2-(prop-2-enoxymethyl)oxetane has a molecular weight of 156.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(prop-2-enoxymethyl)oxetane is sourced from PubChem (CID 19376854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).