3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane

C9H16O2 — CID 101096160

IUPAC3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1(CC)COC1
InChIInChI=1S/C9H16O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyWLJALLVSQRPUOC-HWKANZROSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane

3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane (PubChem CID 101096160) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
PubChem CID101096160
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1(CC)COC1
InChIInChI=1S/C9H16O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyWLJALLVSQRPUOC-HWKANZROSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
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-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane (CID 101096160) is 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane is C/C=C/OCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The InChIKey is WLJALLVSQRPUOC-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxetane is sourced from PubChem (CID 101096160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).