bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate

C12H10O8 — CID 67458119

IUPACbis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate
SMILESO=C(OC1OCO1)c1ccccc1C(=O)OC1OCO1
InChIInChI=1S/C12H10O8/c13-9(19-11-15-5-16-11)7-3-1-2-4-8(7)10(14)20-12-17-6-18-12/h1-4,11-12H,5-6H2
InChIKeyXEEGLIKKGZUUJX-UHFFFAOYSA-N
MW282.20 g/mol
LogP0.58
Rot. Bonds4

About bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate

bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate (PubChem CID 67458119) has the molecular formula C12H10O8 and a molecular weight of 282.20 g/mol. Its IUPAC name is bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate
PubChem CID67458119
Molecular FormulaC12H10O8
Molecular Weight282.20 g/mol
Exact Mass282.04
IUPAC Namebis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate
SMILESO=C(OC1OCO1)c1ccccc1C(=O)OC1OCO1
InChIInChI=1S/C12H10O8/c13-9(19-11-15-5-16-11)7-3-1-2-4-8(7)10(14)20-12-17-6-18-12/h1-4,11-12H,5-6H2
InChIKeyXEEGLIKKGZUUJX-UHFFFAOYSA-N
XLogP0.58
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(1,3-dioxetan-2-yl) benzene-1,2-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(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate (CID 67458119) is bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate is O=C(OC1OCO1)c1ccccc1C(=O)OC1OCO1.
What is the InChIKey of bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate?
The InChIKey is XEEGLIKKGZUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O8/c13-9(19-11-15-5-16-11)7-3-1-2-4-8(7)10(14)20-12-17-6-18-12/h1-4,11-12H,5-6H2.
What are the key properties of bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate?
bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate has a molecular weight of 282.20 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dioxetan-2-yl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 67458119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).