3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane

C11H22O2 — CID 54303102

IUPAC3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane
SMILESCCC1(C(C)OCC(C)C)COC1
InChIInChI=1S/C11H22O2/c1-5-11(7-12-8-11)10(4)13-6-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyNOMULWQOXHVDDG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.47
Rot. Bonds5

About 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane

3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane (PubChem CID 54303102) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane
PubChem CID54303102
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane
SMILESCCC1(C(C)OCC(C)C)COC1
InChIInChI=1S/C11H22O2/c1-5-11(7-12-8-11)10(4)13-6-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyNOMULWQOXHVDDG-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane?
The IUPAC name of 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane (CID 54303102) is 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane is CCC1(C(C)OCC(C)C)COC1.
What is the InChIKey of 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane?
The InChIKey is NOMULWQOXHVDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-11(7-12-8-11)10(4)13-6-9(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane?
3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane has a molecular weight of 186.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-(2-methylpropoxy)ethyl]oxetane is sourced from PubChem (CID 54303102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).