diethyl oxalate;ethyl acetate

C10H18O6 — CID 160900883

IUPACdiethyl oxalate;ethyl acetate
SMILESCCOC(=O)C(=O)OCC.CCOC(C)=O
InChIInChI=1S/C6H10O4.C4H8O2/c1-3-9-5(7)6(8)10-4-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3
InChIKeySPMGAAGXVSDIJZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.68
Rot. Bonds3

About diethyl oxalate;ethyl acetate

diethyl oxalate;ethyl acetate (PubChem CID 160900883) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is diethyl oxalate;ethyl acetate.

Molecular Properties

Compound Namediethyl oxalate;ethyl acetate
PubChem CID160900883
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namediethyl oxalate;ethyl acetate
SMILESCCOC(=O)C(=O)OCC.CCOC(C)=O
InChIInChI=1S/C6H10O4.C4H8O2/c1-3-9-5(7)6(8)10-4-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3
InChIKeySPMGAAGXVSDIJZ-UHFFFAOYSA-N
XLogP0.68
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl oxalate;ethyl acetate?
The IUPAC name of diethyl oxalate;ethyl acetate (CID 160900883) is diethyl oxalate;ethyl acetate.
What is the SMILES notation for diethyl oxalate;ethyl acetate?
The canonical SMILES for diethyl oxalate;ethyl acetate is CCOC(=O)C(=O)OCC.CCOC(C)=O.
What is the InChIKey of diethyl oxalate;ethyl acetate?
The InChIKey is SPMGAAGXVSDIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C4H8O2/c1-3-9-5(7)6(8)10-4-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of diethyl oxalate;ethyl acetate?
diethyl oxalate;ethyl acetate has a molecular weight of 234.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl oxalate;ethyl acetate is sourced from PubChem (CID 160900883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).