3-iodobuta-1,3-dien-2-yl(trimethyl)silane

C7H13ISi — CID 20765068

IUPAC3-iodobuta-1,3-dien-2-yl(trimethyl)silane
SMILESC=C(I)C(=C)[Si](C)(C)C
InChIInChI=1S/C7H13ISi/c1-6(8)7(2)9(3,4)5/h1-2H2,3-5H3
InChIKeyNOPNXVSRRWDJSD-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.37
Rot. Bonds2

About 3-iodobuta-1,3-dien-2-yl(trimethyl)silane

3-iodobuta-1,3-dien-2-yl(trimethyl)silane (PubChem CID 20765068) has the molecular formula C7H13ISi and a molecular weight of 252.17 g/mol. Its IUPAC name is 3-iodobuta-1,3-dien-2-yl(trimethyl)silane.

Molecular Properties

Compound Name3-iodobuta-1,3-dien-2-yl(trimethyl)silane
PubChem CID20765068
Molecular FormulaC7H13ISi
Molecular Weight252.17 g/mol
Exact Mass251.98
IUPAC Name3-iodobuta-1,3-dien-2-yl(trimethyl)silane
SMILESC=C(I)C(=C)[Si](C)(C)C
InChIInChI=1S/C7H13ISi/c1-6(8)7(2)9(3,4)5/h1-2H2,3-5H3
InChIKeyNOPNXVSRRWDJSD-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-iodobuta-1,3-dien-2-yl(trimethyl)silane 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-iodobuta-1,3-dien-2-yl(trimethyl)silane?
The IUPAC name of 3-iodobuta-1,3-dien-2-yl(trimethyl)silane (CID 20765068) is 3-iodobuta-1,3-dien-2-yl(trimethyl)silane.
What is the SMILES notation for 3-iodobuta-1,3-dien-2-yl(trimethyl)silane?
The canonical SMILES for 3-iodobuta-1,3-dien-2-yl(trimethyl)silane is C=C(I)C(=C)[Si](C)(C)C.
What is the InChIKey of 3-iodobuta-1,3-dien-2-yl(trimethyl)silane?
The InChIKey is NOPNXVSRRWDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ISi/c1-6(8)7(2)9(3,4)5/h1-2H2,3-5H3.
What are the key properties of 3-iodobuta-1,3-dien-2-yl(trimethyl)silane?
3-iodobuta-1,3-dien-2-yl(trimethyl)silane has a molecular weight of 252.17 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodobuta-1,3-dien-2-yl(trimethyl)silane is sourced from PubChem (CID 20765068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).