diethyl oxolane-2,2-dicarboxylate

C10H16O5 — CID 12524344

IUPACdiethyl oxolane-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCO1
InChIInChI=1S/C10H16O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKeyDKWFKNZHJYUYFJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.66
Rot. Bonds4

About diethyl oxolane-2,2-dicarboxylate

diethyl oxolane-2,2-dicarboxylate (PubChem CID 12524344) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is diethyl oxolane-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl oxolane-2,2-dicarboxylate
PubChem CID12524344
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namediethyl oxolane-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCCO1
InChIInChI=1S/C10H16O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h3-7H2,1-2H3
InChIKeyDKWFKNZHJYUYFJ-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl oxolane-2,2-dicarboxylate?
The IUPAC name of diethyl oxolane-2,2-dicarboxylate (CID 12524344) is diethyl oxolane-2,2-dicarboxylate.
What is the SMILES notation for diethyl oxolane-2,2-dicarboxylate?
The canonical SMILES for diethyl oxolane-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCCO1.
What is the InChIKey of diethyl oxolane-2,2-dicarboxylate?
The InChIKey is DKWFKNZHJYUYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-13-8(11)10(6-5-7-15-10)9(12)14-4-2/h3-7H2,1-2H3.
What are the key properties of diethyl oxolane-2,2-dicarboxylate?
diethyl oxolane-2,2-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl oxolane-2,2-dicarboxylate is sourced from PubChem (CID 12524344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).