2-[ethoxy(2-methylpropoxy)methyl]oxetane

C10H20O3 — CID 54069184

IUPAC2-[ethoxy(2-methylpropoxy)methyl]oxetane
SMILESCCOC(OCC(C)C)C1CCO1
InChIInChI=1S/C10H20O3/c1-4-11-10(9-5-6-12-9)13-7-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyMFEIFWZNZRPKRY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.81
Rot. Bonds6

About 2-[ethoxy(2-methylpropoxy)methyl]oxetane

2-[ethoxy(2-methylpropoxy)methyl]oxetane (PubChem CID 54069184) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[ethoxy(2-methylpropoxy)methyl]oxetane.

Molecular Properties

Compound Name2-[ethoxy(2-methylpropoxy)methyl]oxetane
PubChem CID54069184
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-[ethoxy(2-methylpropoxy)methyl]oxetane
SMILESCCOC(OCC(C)C)C1CCO1
InChIInChI=1S/C10H20O3/c1-4-11-10(9-5-6-12-9)13-7-8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyMFEIFWZNZRPKRY-UHFFFAOYSA-N
XLogP1.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.81
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-methylpropoxy)methyl]oxetane?
The IUPAC name of 2-[ethoxy(2-methylpropoxy)methyl]oxetane (CID 54069184) is 2-[ethoxy(2-methylpropoxy)methyl]oxetane.
What is the SMILES notation for 2-[ethoxy(2-methylpropoxy)methyl]oxetane?
The canonical SMILES for 2-[ethoxy(2-methylpropoxy)methyl]oxetane is CCOC(OCC(C)C)C1CCO1.
What is the InChIKey of 2-[ethoxy(2-methylpropoxy)methyl]oxetane?
The InChIKey is MFEIFWZNZRPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-11-10(9-5-6-12-9)13-7-8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[ethoxy(2-methylpropoxy)methyl]oxetane?
2-[ethoxy(2-methylpropoxy)methyl]oxetane has a molecular weight of 188.27 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(2-methylpropoxy)methyl]oxetane is sourced from PubChem (CID 54069184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).