3-ethyloxetane;4-methyloxane

C11H22O2 — CID 158808125

IUPAC3-ethyloxetane;4-methyloxane
SMILESCC1CCOCC1.CCC1COC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-2-5-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyIUILOUWWZNVHEW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.48
Rot. Bonds1

About 3-ethyloxetane;4-methyloxane

3-ethyloxetane;4-methyloxane (PubChem CID 158808125) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethyloxetane;4-methyloxane.

Molecular Properties

Compound Name3-ethyloxetane;4-methyloxane
PubChem CID158808125
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethyloxetane;4-methyloxane
SMILESCC1CCOCC1.CCC1COC1
InChIInChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-2-5-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3
InChIKeyIUILOUWWZNVHEW-UHFFFAOYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyloxetane;4-methyloxane?
The IUPAC name of 3-ethyloxetane;4-methyloxane (CID 158808125) is 3-ethyloxetane;4-methyloxane.
What is the SMILES notation for 3-ethyloxetane;4-methyloxane?
The canonical SMILES for 3-ethyloxetane;4-methyloxane is CC1CCOCC1.CCC1COC1.
What is the InChIKey of 3-ethyloxetane;4-methyloxane?
The InChIKey is IUILOUWWZNVHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O/c1-6-2-4-7-5-3-6;1-2-5-3-6-4-5/h6H,2-5H2,1H3;5H,2-4H2,1H3.
What are the key properties of 3-ethyloxetane;4-methyloxane?
3-ethyloxetane;4-methyloxane has a molecular weight of 186.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxetane;4-methyloxane is sourced from PubChem (CID 158808125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).