bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate

C11H12O8 — CID 20695347

IUPACbis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate
SMILESO=C(OCCO)c1cc(C(=O)OCCO)oc(=O)c1
InChIInChI=1S/C11H12O8/c12-1-3-17-10(15)7-5-8(19-9(14)6-7)11(16)18-4-2-13/h5-6,12-13H,1-4H2
InChIKeyXTXZEKBEYHZSBX-UHFFFAOYSA-N
MW272.21 g/mol
LogP-1.06
Rot. Bonds6

About bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate

bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate (PubChem CID 20695347) has the molecular formula C11H12O8 and a molecular weight of 272.21 g/mol. Its IUPAC name is bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate
PubChem CID20695347
Molecular FormulaC11H12O8
Molecular Weight272.21 g/mol
Exact Mass272.05
IUPAC Namebis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate
SMILESO=C(OCCO)c1cc(C(=O)OCCO)oc(=O)c1
InChIInChI=1S/C11H12O8/c12-1-3-17-10(15)7-5-8(19-9(14)6-7)11(16)18-4-2-13/h5-6,12-13H,1-4H2
InChIKeyXTXZEKBEYHZSBX-UHFFFAOYSA-N
XLogP-1.06
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate?
The IUPAC name of bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate (CID 20695347) is bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate.
What is the SMILES notation for bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate?
The canonical SMILES for bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate is O=C(OCCO)c1cc(C(=O)OCCO)oc(=O)c1.
What is the InChIKey of bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate?
The InChIKey is XTXZEKBEYHZSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O8/c12-1-3-17-10(15)7-5-8(19-9(14)6-7)11(16)18-4-2-13/h5-6,12-13H,1-4H2.
What are the key properties of bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate?
bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate has a molecular weight of 272.21 g/mol, XLogP of -1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) 6-oxopyran-2,4-dicarboxylate is sourced from PubChem (CID 20695347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).