[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite

C10H9IO3 — CID 143579072

IUPAC[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite
SMILESC=Cc1oc(=O)c(C)c(OI)c1C=C
InChIInChI=1S/C10H9IO3/c1-4-7-8(5-2)13-10(12)6(3)9(7)14-11/h4-5H,1-2H2,3H3
InChIKeyOUSLPQSLYWUJTR-UHFFFAOYSA-N
MW304.08 g/mol
LogP2.96
Rot. Bonds3

About [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite

[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite (PubChem CID 143579072) has the molecular formula C10H9IO3 and a molecular weight of 304.08 g/mol. Its IUPAC name is [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite.

Molecular Properties

Compound Name[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite
PubChem CID143579072
Molecular FormulaC10H9IO3
Molecular Weight304.08 g/mol
Exact Mass303.96
IUPAC Name[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite
SMILESC=Cc1oc(=O)c(C)c(OI)c1C=C
InChIInChI=1S/C10H9IO3/c1-4-7-8(5-2)13-10(12)6(3)9(7)14-11/h4-5H,1-2H2,3H3
InChIKeyOUSLPQSLYWUJTR-UHFFFAOYSA-N
XLogP2.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite?
The IUPAC name of [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite (CID 143579072) is [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite.
What is the SMILES notation for [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite?
The canonical SMILES for [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite is C=Cc1oc(=O)c(C)c(OI)c1C=C.
What is the InChIKey of [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite?
The InChIKey is OUSLPQSLYWUJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO3/c1-4-7-8(5-2)13-10(12)6(3)9(7)14-11/h4-5H,1-2H2,3H3.
What are the key properties of [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite?
[2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite has a molecular weight of 304.08 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(ethenyl)-5-methyl-6-oxopyran-4-yl] hypoiodite is sourced from PubChem (CID 143579072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).