butanoyl chloride;hydroiodide

C4H8ClIO — CID 162309857

IUPACbutanoyl chloride;hydroiodide
SMILESCCCC(=O)Cl.I
InChIInChI=1S/C4H7ClO.HI/c1-2-3-4(5)6;/h2-3H2,1H3;1H
InChIKeyQMCYTQZHTBNPGB-UHFFFAOYSA-N
MW234.46 g/mol
LogP2.17
Rot. Bonds2

About butanoyl chloride;hydroiodide

butanoyl chloride;hydroiodide (PubChem CID 162309857) has the molecular formula C4H8ClIO and a molecular weight of 234.46 g/mol. Its IUPAC name is butanoyl chloride;hydroiodide.

Molecular Properties

Compound Namebutanoyl chloride;hydroiodide
PubChem CID162309857
Molecular FormulaC4H8ClIO
Molecular Weight234.46 g/mol
Exact Mass233.93
IUPAC Namebutanoyl chloride;hydroiodide
SMILESCCCC(=O)Cl.I
InChIInChI=1S/C4H7ClO.HI/c1-2-3-4(5)6;/h2-3H2,1H3;1H
InChIKeyQMCYTQZHTBNPGB-UHFFFAOYSA-N
XLogP2.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butanoyl chloride;hydroiodide?
The IUPAC name of butanoyl chloride;hydroiodide (CID 162309857) is butanoyl chloride;hydroiodide.
What is the SMILES notation for butanoyl chloride;hydroiodide?
The canonical SMILES for butanoyl chloride;hydroiodide is CCCC(=O)Cl.I.
What is the InChIKey of butanoyl chloride;hydroiodide?
The InChIKey is QMCYTQZHTBNPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO.HI/c1-2-3-4(5)6;/h2-3H2,1H3;1H.
What are the key properties of butanoyl chloride;hydroiodide?
butanoyl chloride;hydroiodide has a molecular weight of 234.46 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl chloride;hydroiodide is sourced from PubChem (CID 162309857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).