pentan-2-yl hypoiodite

C5H11IO — CID 134934760

IUPACpentan-2-yl hypoiodite
SMILESCCCC(C)OI
InChIInChI=1S/C5H11IO/c1-3-4-5(2)7-6/h5H,3-4H2,1-2H3
InChIKeyJIGNAGQGCWSXBZ-UHFFFAOYSA-N
MW214.05 g/mol
LogP2.54
Rot. Bonds3

About pentan-2-yl hypoiodite

pentan-2-yl hypoiodite (PubChem CID 134934760) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is pentan-2-yl hypoiodite.

Molecular Properties

Compound Namepentan-2-yl hypoiodite
PubChem CID134934760
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Namepentan-2-yl hypoiodite
SMILESCCCC(C)OI
InChIInChI=1S/C5H11IO/c1-3-4-5(2)7-6/h5H,3-4H2,1-2H3
InChIKeyJIGNAGQGCWSXBZ-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentan-2-yl hypoiodite?
The IUPAC name of pentan-2-yl hypoiodite (CID 134934760) is pentan-2-yl hypoiodite.
What is the SMILES notation for pentan-2-yl hypoiodite?
The canonical SMILES for pentan-2-yl hypoiodite is CCCC(C)OI.
What is the InChIKey of pentan-2-yl hypoiodite?
The InChIKey is JIGNAGQGCWSXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-3-4-5(2)7-6/h5H,3-4H2,1-2H3.
What are the key properties of pentan-2-yl hypoiodite?
pentan-2-yl hypoiodite has a molecular weight of 214.05 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl hypoiodite is sourced from PubChem (CID 134934760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).