2,2,3-triethyloxane

C11H22O — CID 154383449

IUPAC2,2,3-triethyloxane
SMILESCCC1CCCOC1(CC)CC
InChIInChI=1S/C11H22O/c1-4-10-8-7-9-12-11(10,5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyOUQCTKPDFBOVCE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds3

About 2,2,3-triethyloxane

2,2,3-triethyloxane (PubChem CID 154383449) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2,3-triethyloxane.

Molecular Properties

Compound Name2,2,3-triethyloxane
PubChem CID154383449
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2,3-triethyloxane
SMILESCCC1CCCOC1(CC)CC
InChIInChI=1S/C11H22O/c1-4-10-8-7-9-12-11(10,5-2)6-3/h10H,4-9H2,1-3H3
InChIKeyOUQCTKPDFBOVCE-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2,2,3-triethyloxane?
The IUPAC name of 2,2,3-triethyloxane (CID 154383449) is 2,2,3-triethyloxane.
What is the SMILES notation for 2,2,3-triethyloxane?
The canonical SMILES for 2,2,3-triethyloxane is CCC1CCCOC1(CC)CC.
What is the InChIKey of 2,2,3-triethyloxane?
The InChIKey is OUQCTKPDFBOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10-8-7-9-12-11(10,5-2)6-3/h10H,4-9H2,1-3H3.
What are the key properties of 2,2,3-triethyloxane?
2,2,3-triethyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethyloxane is sourced from PubChem (CID 154383449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).