18-oxooctadecanoyl iodide

C18H33IO2 — CID 88943662

IUPAC18-oxooctadecanoyl iodide
SMILESO=CCCCCCCCCCCCCCCCCC(=O)I
InChIInChI=1S/C18H33IO2/c19-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20/h17H,1-16H2
InChIKeyDJXJJYFFSIEKGP-UHFFFAOYSA-N
MW408.36 g/mol
LogP6.39
Rot. Bonds17

About 18-oxooctadecanoyl iodide

18-oxooctadecanoyl iodide (PubChem CID 88943662) has the molecular formula C18H33IO2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 18-oxooctadecanoyl iodide.

Molecular Properties

Compound Name18-oxooctadecanoyl iodide
PubChem CID88943662
Molecular FormulaC18H33IO2
Molecular Weight408.36 g/mol
Exact Mass408.15
IUPAC Name18-oxooctadecanoyl iodide
SMILESO=CCCCCCCCCCCCCCCCCC(=O)I
InChIInChI=1S/C18H33IO2/c19-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20/h17H,1-16H2
InChIKeyDJXJJYFFSIEKGP-UHFFFAOYSA-N
XLogP6.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.36
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 18-oxooctadecanoyl iodide?
The IUPAC name of 18-oxooctadecanoyl iodide (CID 88943662) is 18-oxooctadecanoyl iodide.
What is the SMILES notation for 18-oxooctadecanoyl iodide?
The canonical SMILES for 18-oxooctadecanoyl iodide is O=CCCCCCCCCCCCCCCCCC(=O)I.
What is the InChIKey of 18-oxooctadecanoyl iodide?
The InChIKey is DJXJJYFFSIEKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33IO2/c19-18(21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20/h17H,1-16H2.
What are the key properties of 18-oxooctadecanoyl iodide?
18-oxooctadecanoyl iodide has a molecular weight of 408.36 g/mol, XLogP of 6.39, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-oxooctadecanoyl iodide is sourced from PubChem (CID 88943662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).