3-butyl-2,3-diethyloxetane

C11H22O — CID 58779787

IUPAC3-butyl-2,3-diethyloxetane
SMILESCCCCC1(CC)COC1CC
InChIInChI=1S/C11H22O/c1-4-7-8-11(6-3)9-12-10(11)5-2/h10H,4-9H2,1-3H3
InChIKeyVZIJZJGLAJXLRX-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds5

About 3-butyl-2,3-diethyloxetane

3-butyl-2,3-diethyloxetane (PubChem CID 58779787) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-butyl-2,3-diethyloxetane.

Molecular Properties

Compound Name3-butyl-2,3-diethyloxetane
PubChem CID58779787
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-butyl-2,3-diethyloxetane
SMILESCCCCC1(CC)COC1CC
InChIInChI=1S/C11H22O/c1-4-7-8-11(6-3)9-12-10(11)5-2/h10H,4-9H2,1-3H3
InChIKeyVZIJZJGLAJXLRX-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,3-diethyloxetane?
The IUPAC name of 3-butyl-2,3-diethyloxetane (CID 58779787) is 3-butyl-2,3-diethyloxetane.
What is the SMILES notation for 3-butyl-2,3-diethyloxetane?
The canonical SMILES for 3-butyl-2,3-diethyloxetane is CCCCC1(CC)COC1CC.
What is the InChIKey of 3-butyl-2,3-diethyloxetane?
The InChIKey is VZIJZJGLAJXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-7-8-11(6-3)9-12-10(11)5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3-butyl-2,3-diethyloxetane?
3-butyl-2,3-diethyloxetane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,3-diethyloxetane is sourced from PubChem (CID 58779787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).