diethyl 1,3-dioxolane-4,5-dicarboxylate

C9H14O6 — CID 575846

IUPACdiethyl 1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)C1OCOC1C(=O)OCC
InChIInChI=1S/C9H14O6/c1-3-12-8(10)6-7(15-5-14-6)9(11)13-4-2/h6-7H,3-5H2,1-2H3
InChIKeyIAIKNIATGSJSLF-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.15
Rot. Bonds4

About diethyl 1,3-dioxolane-4,5-dicarboxylate

diethyl 1,3-dioxolane-4,5-dicarboxylate (PubChem CID 575846) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is diethyl 1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,3-dioxolane-4,5-dicarboxylate
PubChem CID575846
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Namediethyl 1,3-dioxolane-4,5-dicarboxylate
SMILESCCOC(=O)C1OCOC1C(=O)OCC
InChIInChI=1S/C9H14O6/c1-3-12-8(10)6-7(15-5-14-6)9(11)13-4-2/h6-7H,3-5H2,1-2H3
InChIKeyIAIKNIATGSJSLF-UHFFFAOYSA-N
XLogP-0.15
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of diethyl 1,3-dioxolane-4,5-dicarboxylate (CID 575846) is diethyl 1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for diethyl 1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for diethyl 1,3-dioxolane-4,5-dicarboxylate is CCOC(=O)C1OCOC1C(=O)OCC.
What is the InChIKey of diethyl 1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is IAIKNIATGSJSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-3-12-8(10)6-7(15-5-14-6)9(11)13-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of diethyl 1,3-dioxolane-4,5-dicarboxylate?
diethyl 1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 218.20 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 575846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).