3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide

C11H19IN4O — CID 129162777

IUPAC3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide
SMILESCC(C)(CC(=O)I)CC(C)(C)Cc1nn[nH]n1
InChIInChI=1S/C11H19IN4O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyWYXMCZQRYGMTBG-UHFFFAOYSA-N
MW350.20 g/mol
LogP2.54
Rot. Bonds6

About 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide

3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide (PubChem CID 129162777) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide
PubChem CID129162777
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide
SMILESCC(C)(CC(=O)I)CC(C)(C)Cc1nn[nH]n1
InChIInChI=1S/C11H19IN4O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyWYXMCZQRYGMTBG-UHFFFAOYSA-N
XLogP2.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide?
The IUPAC name of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide (CID 129162777) is 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide.
What is the SMILES notation for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide?
The canonical SMILES for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide is CC(C)(CC(=O)I)CC(C)(C)Cc1nn[nH]n1.
What is the InChIKey of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide?
The InChIKey is WYXMCZQRYGMTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-10(2,5-8(12)17)7-11(3,4)6-9-13-15-16-14-9/h5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide?
3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide has a molecular weight of 350.20 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-6-(2H-tetrazol-5-yl)hexanoyl iodide is sourced from PubChem (CID 129162777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).