tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane

C10H21IOSi — CID 56975357

IUPACtert-butyl-(3-iodobut-3-enoxy)-dimethylsilane
SMILESC=C(I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21IOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h1,7-8H2,2-6H3
InChIKeyLKKSYDYSBZNMRM-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane

tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane (PubChem CID 56975357) has the molecular formula C10H21IOSi and a molecular weight of 312.27 g/mol. Its IUPAC name is tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodobut-3-enoxy)-dimethylsilane
PubChem CID56975357
Molecular FormulaC10H21IOSi
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Nametert-butyl-(3-iodobut-3-enoxy)-dimethylsilane
SMILESC=C(I)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H21IOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h1,7-8H2,2-6H3
InChIKeyLKKSYDYSBZNMRM-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.35
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 tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane 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 tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane (CID 56975357) is tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane is C=C(I)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane?
The InChIKey is LKKSYDYSBZNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IOSi/c1-9(11)7-8-12-13(5,6)10(2,3)4/h1,7-8H2,2-6H3.
What are the key properties of tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane?
tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane has a molecular weight of 312.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodobut-3-enoxy)-dimethylsilane is sourced from PubChem (CID 56975357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).