triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane

C17H35IOSi — CID 154116270

IUPACtriethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane
SMILESCCCCC(C)(O[Si](CC)(CC)CC)C(C)(C)/C=C/I
InChIInChI=1S/C17H35IOSi/c1-8-12-13-17(7,16(5,6)14-15-18)19-20(9-2,10-3)11-4/h14-15H,8-13H2,1-7H3/b15-14+
InChIKeyIGLPZCGHXBIQKL-CCEZHUSRSA-N
MW410.46 g/mol
LogP6.93
Rot. Bonds10

About triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane

triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane (PubChem CID 154116270) has the molecular formula C17H35IOSi and a molecular weight of 410.46 g/mol. Its IUPAC name is triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane
PubChem CID154116270
Molecular FormulaC17H35IOSi
Molecular Weight410.46 g/mol
Exact Mass410.15
IUPAC Nametriethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane
SMILESCCCCC(C)(O[Si](CC)(CC)CC)C(C)(C)/C=C/I
InChIInChI=1S/C17H35IOSi/c1-8-12-13-17(7,16(5,6)14-15-18)19-20(9-2,10-3)11-4/h14-15H,8-13H2,1-7H3/b15-14+
InChIKeyIGLPZCGHXBIQKL-CCEZHUSRSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane 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 triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane?
The IUPAC name of triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane (CID 154116270) is triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane?
The canonical SMILES for triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane is CCCCC(C)(O[Si](CC)(CC)CC)C(C)(C)/C=C/I.
What is the InChIKey of triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane?
The InChIKey is IGLPZCGHXBIQKL-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H35IOSi/c1-8-12-13-17(7,16(5,6)14-15-18)19-20(9-2,10-3)11-4/h14-15H,8-13H2,1-7H3/b15-14+.
What are the key properties of triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane?
triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane has a molecular weight of 410.46 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-1-iodo-3,3,4-trimethyloct-1-en-4-yl]oxysilane is sourced from PubChem (CID 154116270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).