pentyl hypoiodite

C5H11IO — CID 87377757

IUPACpentyl hypoiodite
SMILESCCCCCOI
InChIInChI=1S/C5H11IO/c1-2-3-4-5-7-6/h2-5H2,1H3
InChIKeyWYBHWMFPYBSQKJ-UHFFFAOYSA-N
MW214.05 g/mol
LogP2.54
Rot. Bonds4

About pentyl hypoiodite

pentyl hypoiodite (PubChem CID 87377757) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is pentyl hypoiodite.

Molecular Properties

Compound Namepentyl hypoiodite
PubChem CID87377757
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Namepentyl hypoiodite
SMILESCCCCCOI
InChIInChI=1S/C5H11IO/c1-2-3-4-5-7-6/h2-5H2,1H3
InChIKeyWYBHWMFPYBSQKJ-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentyl hypoiodite?
The IUPAC name of pentyl hypoiodite (CID 87377757) is pentyl hypoiodite.
What is the SMILES notation for pentyl hypoiodite?
The canonical SMILES for pentyl hypoiodite is CCCCCOI.
What is the InChIKey of pentyl hypoiodite?
The InChIKey is WYBHWMFPYBSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-2-3-4-5-7-6/h2-5H2,1H3.
What are the key properties of pentyl hypoiodite?
pentyl hypoiodite has a molecular weight of 214.05 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl hypoiodite is sourced from PubChem (CID 87377757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).