4-(2,2-diethoxyethoxy)oxane

C11H22O4 — CID 63627894

IUPAC4-(2,2-diethoxyethoxy)oxane
SMILESCCOC(COC1CCOCC1)OCC
InChIInChI=1S/C11H22O4/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyJUPBFILWYIPZKU-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.58
Rot. Bonds7

About 4-(2,2-diethoxyethoxy)oxane

4-(2,2-diethoxyethoxy)oxane (PubChem CID 63627894) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(2,2-diethoxyethoxy)oxane.

Molecular Properties

Compound Name4-(2,2-diethoxyethoxy)oxane
PubChem CID63627894
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(2,2-diethoxyethoxy)oxane
SMILESCCOC(COC1CCOCC1)OCC
InChIInChI=1S/C11H22O4/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-11H,3-9H2,1-2H3
InChIKeyJUPBFILWYIPZKU-UHFFFAOYSA-N
XLogP1.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethoxy)oxane?
The IUPAC name of 4-(2,2-diethoxyethoxy)oxane (CID 63627894) is 4-(2,2-diethoxyethoxy)oxane.
What is the SMILES notation for 4-(2,2-diethoxyethoxy)oxane?
The canonical SMILES for 4-(2,2-diethoxyethoxy)oxane is CCOC(COC1CCOCC1)OCC.
What is the InChIKey of 4-(2,2-diethoxyethoxy)oxane?
The InChIKey is JUPBFILWYIPZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-13-11(14-4-2)9-15-10-5-7-12-8-6-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethoxy)oxane?
4-(2,2-diethoxyethoxy)oxane has a molecular weight of 218.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethoxy)oxane is sourced from PubChem (CID 63627894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).