5-iodopentanoyl chloride

C5H8ClIO — CID 15337131

IUPAC5-iodopentanoyl chloride
SMILESO=C(Cl)CCCCI
InChIInChI=1S/C5H8ClIO/c6-5(8)3-1-2-4-7/h1-4H2
InChIKeyRHTNOPRQXJRZPE-UHFFFAOYSA-N
MW246.47 g/mol
LogP2.36
Rot. Bonds4

About 5-iodopentanoyl chloride

5-iodopentanoyl chloride (PubChem CID 15337131) has the molecular formula C5H8ClIO and a molecular weight of 246.47 g/mol. Its IUPAC name is 5-iodopentanoyl chloride.

Molecular Properties

Compound Name5-iodopentanoyl chloride
PubChem CID15337131
Molecular FormulaC5H8ClIO
Molecular Weight246.47 g/mol
Exact Mass245.93
IUPAC Name5-iodopentanoyl chloride
SMILESO=C(Cl)CCCCI
InChIInChI=1S/C5H8ClIO/c6-5(8)3-1-2-4-7/h1-4H2
InChIKeyRHTNOPRQXJRZPE-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodopentanoyl chloride?
The IUPAC name of 5-iodopentanoyl chloride (CID 15337131) is 5-iodopentanoyl chloride.
What is the SMILES notation for 5-iodopentanoyl chloride?
The canonical SMILES for 5-iodopentanoyl chloride is O=C(Cl)CCCCI.
What is the InChIKey of 5-iodopentanoyl chloride?
The InChIKey is RHTNOPRQXJRZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClIO/c6-5(8)3-1-2-4-7/h1-4H2.
What are the key properties of 5-iodopentanoyl chloride?
5-iodopentanoyl chloride has a molecular weight of 246.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopentanoyl chloride is sourced from PubChem (CID 15337131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).