trihexadecyl(iodo)silane

C48H99ISi — CID 172579370

IUPACtrihexadecyl(iodo)silane
SMILESCCCCCCCCCCCCCCCC[Si](I)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C48H99ISi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50(49,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKeyGFYFGZCHMPQFKU-UHFFFAOYSA-N
MW831.31 g/mol
LogP19.81
Rot. Bonds45

About trihexadecyl(iodo)silane

trihexadecyl(iodo)silane (PubChem CID 172579370) has the molecular formula C48H99ISi and a molecular weight of 831.31 g/mol. Its IUPAC name is trihexadecyl(iodo)silane.

Molecular Properties

Compound Nametrihexadecyl(iodo)silane
PubChem CID172579370
Molecular FormulaC48H99ISi
Molecular Weight831.31 g/mol
Exact Mass830.66
IUPAC Nametrihexadecyl(iodo)silane
SMILESCCCCCCCCCCCCCCCC[Si](I)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C48H99ISi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50(49,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKeyGFYFGZCHMPQFKU-UHFFFAOYSA-N
XLogP19.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.31
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-hexyl-iodosilane
CID 154486871
butyl-iodo-dipropylsilane
CID 166025271
butyl-hexyl-diiodosilane
CID 140745011
dichloro-iodo-octylsilane
CID 154486818
iodomethane;octadecane
CID 174964097
butyl-dihexyl-octylsilane
CID 168803297
decyl-hexadecyl-methyl-octylsilane
CID 14474508
ethoxy-dihexyl-iodosilane
CID 154486979
CID 161246447
CID 161246447
henoctacontane
CID 22086342
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of trihexadecyl(iodo)silane?
The IUPAC name of trihexadecyl(iodo)silane (CID 172579370) is trihexadecyl(iodo)silane.
What is the SMILES notation for trihexadecyl(iodo)silane?
The canonical SMILES for trihexadecyl(iodo)silane is CCCCCCCCCCCCCCCC[Si](I)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of trihexadecyl(iodo)silane?
The InChIKey is GFYFGZCHMPQFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H99ISi/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50(49,47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3.
What are the key properties of trihexadecyl(iodo)silane?
trihexadecyl(iodo)silane has a molecular weight of 831.31 g/mol, XLogP of 19.81, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trihexadecyl(iodo)silane is sourced from PubChem (CID 172579370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).