iodo 2-oxo-1,3-dioxolane-4-carboxylate

C4H3IO5 — CID 155049716

IUPACiodo 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OI)O1
InChIInChI=1S/C4H3IO5/c5-10-3(6)2-1-8-4(7)9-2/h2H,1H2
InChIKeyGUQCXWNJAQKLQG-UHFFFAOYSA-N
MW257.97 g/mol
LogP0.41
Rot. Bonds1

About iodo 2-oxo-1,3-dioxolane-4-carboxylate

iodo 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 155049716) has the molecular formula C4H3IO5 and a molecular weight of 257.97 g/mol. Its IUPAC name is iodo 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameiodo 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID155049716
Molecular FormulaC4H3IO5
Molecular Weight257.97 g/mol
Exact Mass257.90
IUPAC Nameiodo 2-oxo-1,3-dioxolane-4-carboxylate
SMILESO=C1OCC(C(=O)OI)O1
InChIInChI=1S/C4H3IO5/c5-10-3(6)2-1-8-4(7)9-2/h2H,1H2
InChIKeyGUQCXWNJAQKLQG-UHFFFAOYSA-N
XLogP0.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.97
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-1,3-dioxolane-4-carbonyl)oxyethyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 122643704
[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599720
3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599718
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
(4-fluoro-2-methylphenyl) 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599656
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
2-hydroxyethyl 2-oxo-1,3-dioxolane-4-carboxylate;2-hydroxypropyl 2-oxo-1,3-dioxolane-4-carboxylate;2-methylbutyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 163596201
CID 172774171
CID 172774171
2-[2,3-bis[1-(2-oxo-1,3-dioxolane-4-carbonyl)oxypropan-2-yloxy]hexoxy]propyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 70640777
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772

Frequently Asked Questions

What is the IUPAC name of iodo 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of iodo 2-oxo-1,3-dioxolane-4-carboxylate (CID 155049716) is iodo 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for iodo 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for iodo 2-oxo-1,3-dioxolane-4-carboxylate is O=C1OCC(C(=O)OI)O1.
What is the InChIKey of iodo 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is GUQCXWNJAQKLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IO5/c5-10-3(6)2-1-8-4(7)9-2/h2H,1H2.
What are the key properties of iodo 2-oxo-1,3-dioxolane-4-carboxylate?
iodo 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 257.97 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 155049716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).