2-ethoxy-2-(2-methylpropoxy)oxetane

C9H18O3 — CID 22918787

IUPAC2-ethoxy-2-(2-methylpropoxy)oxetane
SMILESCCOC1(OCC(C)C)CCO1
InChIInChI=1S/C9H18O3/c1-4-10-9(5-6-11-9)12-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyXLZOIGBHYMNSIQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.77
Rot. Bonds5

About 2-ethoxy-2-(2-methylpropoxy)oxetane

2-ethoxy-2-(2-methylpropoxy)oxetane (PubChem CID 22918787) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-ethoxy-2-(2-methylpropoxy)oxetane.

Molecular Properties

Compound Name2-ethoxy-2-(2-methylpropoxy)oxetane
PubChem CID22918787
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-ethoxy-2-(2-methylpropoxy)oxetane
SMILESCCOC1(OCC(C)C)CCO1
InChIInChI=1S/C9H18O3/c1-4-10-9(5-6-11-9)12-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyXLZOIGBHYMNSIQ-UHFFFAOYSA-N
XLogP1.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(2-methylpropoxy)oxetane?
The IUPAC name of 2-ethoxy-2-(2-methylpropoxy)oxetane (CID 22918787) is 2-ethoxy-2-(2-methylpropoxy)oxetane.
What is the SMILES notation for 2-ethoxy-2-(2-methylpropoxy)oxetane?
The canonical SMILES for 2-ethoxy-2-(2-methylpropoxy)oxetane is CCOC1(OCC(C)C)CCO1.
What is the InChIKey of 2-ethoxy-2-(2-methylpropoxy)oxetane?
The InChIKey is XLZOIGBHYMNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-10-9(5-6-11-9)12-7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-2-(2-methylpropoxy)oxetane?
2-ethoxy-2-(2-methylpropoxy)oxetane has a molecular weight of 174.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(2-methylpropoxy)oxetane is sourced from PubChem (CID 22918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).