4-azido-2,2,4-trimethylpentanoyl iodide

C8H14IN3O — CID 89181520

IUPAC4-azido-2,2,4-trimethylpentanoyl iodide
SMILESCC(C)(CC(C)(C)C(=O)I)N=[N+]=[N-]
InChIInChI=1S/C8H14IN3O/c1-7(2,6(9)13)5-8(3,4)11-12-10/h5H2,1-4H3
InChIKeyBLVWFOOSZFMNLO-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.45
Rot. Bonds4

About 4-azido-2,2,4-trimethylpentanoyl iodide

4-azido-2,2,4-trimethylpentanoyl iodide (PubChem CID 89181520) has the molecular formula C8H14IN3O and a molecular weight of 295.12 g/mol. Its IUPAC name is 4-azido-2,2,4-trimethylpentanoyl iodide.

Molecular Properties

Compound Name4-azido-2,2,4-trimethylpentanoyl iodide
PubChem CID89181520
Molecular FormulaC8H14IN3O
Molecular Weight295.12 g/mol
Exact Mass295.02
IUPAC Name4-azido-2,2,4-trimethylpentanoyl iodide
SMILESCC(C)(CC(C)(C)C(=O)I)N=[N+]=[N-]
InChIInChI=1S/C8H14IN3O/c1-7(2,6(9)13)5-8(3,4)11-12-10/h5H2,1-4H3
InChIKeyBLVWFOOSZFMNLO-UHFFFAOYSA-N
XLogP3.45
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 139407155
(2S)-2-azido-2-methylbutanoyl chloride
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cyclohexyl 4-azido-4-methylpentanoate
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2-azido-1,1,1,3,3,3-hexafluoro-2-methylpropane
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propan-2-yl 3-azido-3,3-difluoropropanoate
CID 14616846
2-(2-azido-2-methylpropyl)pyridine
CID 151920742
2-azido-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 44508056
bis(2-azidopropan-2-yl)diazene;dihydrochloride
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CID 167275403

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,2,4-trimethylpentanoyl iodide?
The IUPAC name of 4-azido-2,2,4-trimethylpentanoyl iodide (CID 89181520) is 4-azido-2,2,4-trimethylpentanoyl iodide.
What is the SMILES notation for 4-azido-2,2,4-trimethylpentanoyl iodide?
The canonical SMILES for 4-azido-2,2,4-trimethylpentanoyl iodide is CC(C)(CC(C)(C)C(=O)I)N=[N+]=[N-].
What is the InChIKey of 4-azido-2,2,4-trimethylpentanoyl iodide?
The InChIKey is BLVWFOOSZFMNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN3O/c1-7(2,6(9)13)5-8(3,4)11-12-10/h5H2,1-4H3.
What are the key properties of 4-azido-2,2,4-trimethylpentanoyl iodide?
4-azido-2,2,4-trimethylpentanoyl iodide has a molecular weight of 295.12 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,2,4-trimethylpentanoyl iodide is sourced from PubChem (CID 89181520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).