1,1-diethoxyethane;oxadiazole

C8H16N2O3 — CID 67088458

IUPAC1,1-diethoxyethane;oxadiazole
SMILESCCOC(C)OCC.c1conn1
InChIInChI=1S/C6H14O2.C2H2N2O/c1-4-7-6(3)8-5-2;1-2-5-4-3-1/h6H,4-5H2,1-3H3;1-2H
InChIKeyQHJRGRYVKGBQCV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.48
Rot. Bonds4

About 1,1-diethoxyethane;oxadiazole

1,1-diethoxyethane;oxadiazole (PubChem CID 67088458) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,1-diethoxyethane;oxadiazole.

Molecular Properties

Compound Name1,1-diethoxyethane;oxadiazole
PubChem CID67088458
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1,1-diethoxyethane;oxadiazole
SMILESCCOC(C)OCC.c1conn1
InChIInChI=1S/C6H14O2.C2H2N2O/c1-4-7-6(3)8-5-2;1-2-5-4-3-1/h6H,4-5H2,1-3H3;1-2H
InChIKeyQHJRGRYVKGBQCV-UHFFFAOYSA-N
XLogP1.48
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,1-diethoxyethane;oxadiazole?
The IUPAC name of 1,1-diethoxyethane;oxadiazole (CID 67088458) is 1,1-diethoxyethane;oxadiazole.
What is the SMILES notation for 1,1-diethoxyethane;oxadiazole?
The canonical SMILES for 1,1-diethoxyethane;oxadiazole is CCOC(C)OCC.c1conn1.
What is the InChIKey of 1,1-diethoxyethane;oxadiazole?
The InChIKey is QHJRGRYVKGBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C2H2N2O/c1-4-7-6(3)8-5-2;1-2-5-4-3-1/h6H,4-5H2,1-3H3;1-2H.
What are the key properties of 1,1-diethoxyethane;oxadiazole?
1,1-diethoxyethane;oxadiazole has a molecular weight of 188.23 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;oxadiazole is sourced from PubChem (CID 67088458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).