(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite

C5H5IO4 — CID 130325216

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite
SMILESCc1oc(=O)oc1COI
InChIInChI=1S/C5H5IO4/c1-3-4(2-8-6)10-5(7)9-3/h2H2,1H3
InChIKeyDPXWQILFOLVNAQ-UHFFFAOYSA-N
MW255.99 g/mol
LogP1.41
Rot. Bonds2

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite (PubChem CID 130325216) has the molecular formula C5H5IO4 and a molecular weight of 255.99 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite
PubChem CID130325216
Molecular FormulaC5H5IO4
Molecular Weight255.99 g/mol
Exact Mass255.92
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite
SMILESCc1oc(=O)oc1COI
InChIInChI=1S/C5H5IO4/c1-3-4(2-8-6)10-5(7)9-3/h2H2,1H3
InChIKeyDPXWQILFOLVNAQ-UHFFFAOYSA-N
XLogP1.41
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.99
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite (CID 130325216) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite is Cc1oc(=O)oc1COI.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite?
The InChIKey is DPXWQILFOLVNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IO4/c1-3-4(2-8-6)10-5(7)9-3/h2H2,1H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite has a molecular weight of 255.99 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl hypoiodite is sourced from PubChem (CID 130325216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).