6-iodo-6-oxohexanoyl chloride

C6H8ClIO2 — CID 89484749

IUPAC6-iodo-6-oxohexanoyl chloride
SMILESO=C(Cl)CCCCC(=O)I
InChIInChI=1S/C6H8ClIO2/c7-5(9)3-1-2-4-6(8)10/h1-4H2
InChIKeyLHSKVWQFTXOWFS-UHFFFAOYSA-N
MW274.48 g/mol
LogP2.27
Rot. Bonds5

About 6-iodo-6-oxohexanoyl chloride

6-iodo-6-oxohexanoyl chloride (PubChem CID 89484749) has the molecular formula C6H8ClIO2 and a molecular weight of 274.48 g/mol. Its IUPAC name is 6-iodo-6-oxohexanoyl chloride.

Molecular Properties

Compound Name6-iodo-6-oxohexanoyl chloride
PubChem CID89484749
Molecular FormulaC6H8ClIO2
Molecular Weight274.48 g/mol
Exact Mass273.93
IUPAC Name6-iodo-6-oxohexanoyl chloride
SMILESO=C(Cl)CCCCC(=O)I
InChIInChI=1S/C6H8ClIO2/c7-5(9)3-1-2-4-6(8)10/h1-4H2
InChIKeyLHSKVWQFTXOWFS-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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 6-iodo-6-oxohexanoyl chloride?
The IUPAC name of 6-iodo-6-oxohexanoyl chloride (CID 89484749) is 6-iodo-6-oxohexanoyl chloride.
What is the SMILES notation for 6-iodo-6-oxohexanoyl chloride?
The canonical SMILES for 6-iodo-6-oxohexanoyl chloride is O=C(Cl)CCCCC(=O)I.
What is the InChIKey of 6-iodo-6-oxohexanoyl chloride?
The InChIKey is LHSKVWQFTXOWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClIO2/c7-5(9)3-1-2-4-6(8)10/h1-4H2.
What are the key properties of 6-iodo-6-oxohexanoyl chloride?
6-iodo-6-oxohexanoyl chloride has a molecular weight of 274.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-oxohexanoyl chloride is sourced from PubChem (CID 89484749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).