tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane

C21H29ISi2 — CID 11798344

IUPACtert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
SMILESCC(C)(C)[Si](/C=C(\I)[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ISi2/c1-21(2,3)24(17-20(22)23(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,1-6H3/b20-17+
InChIKeyFXHVBAIITLVSQQ-LVZFUZTISA-N
MW464.54 g/mol
LogP5.79
Rot. Bonds4

About tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane

tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane (PubChem CID 11798344) has the molecular formula C21H29ISi2 and a molecular weight of 464.54 g/mol. Its IUPAC name is tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
PubChem CID11798344
Molecular FormulaC21H29ISi2
Molecular Weight464.54 g/mol
Exact Mass464.09
IUPAC Nametert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane
SMILESCC(C)(C)[Si](/C=C(\I)[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ISi2/c1-21(2,3)24(17-20(22)23(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,1-6H3/b20-17+
InChIKeyFXHVBAIITLVSQQ-LVZFUZTISA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 55.79
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane (CID 11798344) is tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane is CC(C)(C)[Si](/C=C(\I)[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane?
The InChIKey is FXHVBAIITLVSQQ-LVZFUZTISA-N. The full InChI is InChI=1S/C21H29ISi2/c1-21(2,3)24(17-20(22)23(4,5)6,18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-17H,1-6H3/b20-17+.
What are the key properties of tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane?
tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane has a molecular weight of 464.54 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-2-iodo-2-trimethylsilylethenyl]-diphenylsilane is sourced from PubChem (CID 11798344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).