3-ethyl-3-methoxyoxetane

C6H12O2 — CID 22277879

IUPAC3-ethyl-3-methoxyoxetane
SMILESCCC1(OC)COC1
InChIInChI=1S/C6H12O2/c1-3-6(7-2)4-8-5-6/h3-5H2,1-2H3
InChIKeyWHYSCQXYFSXDDS-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds2

About 3-ethyl-3-methoxyoxetane

3-ethyl-3-methoxyoxetane (PubChem CID 22277879) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-ethyl-3-methoxyoxetane.

Molecular Properties

Compound Name3-ethyl-3-methoxyoxetane
PubChem CID22277879
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-ethyl-3-methoxyoxetane
SMILESCCC1(OC)COC1
InChIInChI=1S/C6H12O2/c1-3-6(7-2)4-8-5-6/h3-5H2,1-2H3
InChIKeyWHYSCQXYFSXDDS-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxyoxetane?
The IUPAC name of 3-ethyl-3-methoxyoxetane (CID 22277879) is 3-ethyl-3-methoxyoxetane.
What is the SMILES notation for 3-ethyl-3-methoxyoxetane?
The canonical SMILES for 3-ethyl-3-methoxyoxetane is CCC1(OC)COC1.
What is the InChIKey of 3-ethyl-3-methoxyoxetane?
The InChIKey is WHYSCQXYFSXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(7-2)4-8-5-6/h3-5H2,1-2H3.
What are the key properties of 3-ethyl-3-methoxyoxetane?
3-ethyl-3-methoxyoxetane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxyoxetane is sourced from PubChem (CID 22277879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).