dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate

C7H9IO6 — CID 130308368

IUPACdimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(I)OC1C(=O)OC
InChIInChI=1S/C7H9IO6/c1-11-5(9)3-4(6(10)12-2)14-7(8)13-3/h3-4,7H,1-2H3
InChIKeyJDCMFYQJWXQZQV-UHFFFAOYSA-N
MW316.05 g/mol
LogP-0.17
Rot. Bonds2

About dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate

dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 130308368) has the molecular formula C7H9IO6 and a molecular weight of 316.05 g/mol. Its IUPAC name is dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
PubChem CID130308368
Molecular FormulaC7H9IO6
Molecular Weight316.05 g/mol
Exact Mass315.94
IUPAC Namedimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
SMILESCOC(=O)C1OC(I)OC1C(=O)OC
InChIInChI=1S/C7H9IO6/c1-11-5(9)3-4(6(10)12-2)14-7(8)13-3/h3-4,7H,1-2H3
InChIKeyJDCMFYQJWXQZQV-UHFFFAOYSA-N
XLogP-0.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.05
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate (CID 130308368) is dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate is COC(=O)C1OC(I)OC1C(=O)OC.
What is the InChIKey of dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is JDCMFYQJWXQZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO6/c1-11-5(9)3-4(6(10)12-2)14-7(8)13-3/h3-4,7H,1-2H3.
What are the key properties of dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate?
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 316.05 g/mol, XLogP of -0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 130308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).