tert-butyl-(3-iodopropoxy)-diphenylsilane

C19H25IOSi — CID 11177744

IUPACtert-butyl-(3-iodopropoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25IOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyNUQCCJCVGGTDJG-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.39
Rot. Bonds6

About tert-butyl-(3-iodopropoxy)-diphenylsilane

tert-butyl-(3-iodopropoxy)-diphenylsilane (PubChem CID 11177744) has the molecular formula C19H25IOSi and a molecular weight of 424.40 g/mol. Its IUPAC name is tert-butyl-(3-iodopropoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodopropoxy)-diphenylsilane
PubChem CID11177744
Molecular FormulaC19H25IOSi
Molecular Weight424.40 g/mol
Exact Mass424.07
IUPAC Nametert-butyl-(3-iodopropoxy)-diphenylsilane
SMILESCC(C)(C)[Si](OCCCI)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25IOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3
InChIKeyNUQCCJCVGGTDJG-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodopropoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-iodopropoxy)-diphenylsilane (CID 11177744) is tert-butyl-(3-iodopropoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-iodopropoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-iodopropoxy)-diphenylsilane is CC(C)(C)[Si](OCCCI)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(3-iodopropoxy)-diphenylsilane?
The InChIKey is NUQCCJCVGGTDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25IOSi/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14H,10,15-16H2,1-3H3.
What are the key properties of tert-butyl-(3-iodopropoxy)-diphenylsilane?
tert-butyl-(3-iodopropoxy)-diphenylsilane has a molecular weight of 424.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodopropoxy)-diphenylsilane is sourced from PubChem (CID 11177744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).