ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane

C19H21IOSi — CID 10526138

IUPACethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane
SMILESC=C[Si](O[C@H]1CCC[C@@H]1I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21IOSi/c1-2-22(16-10-5-3-6-11-16,17-12-7-4-8-13-17)21-19-15-9-14-18(19)20/h2-8,10-13,18-19H,1,9,14-15H2/t18-,19-/m0/s1
InChIKeyWAUAFWWZOUZMAG-OALUTQOASA-N
MW420.37 g/mol
LogP3.84
Rot. Bonds5

About ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane

ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane (PubChem CID 10526138) has the molecular formula C19H21IOSi and a molecular weight of 420.37 g/mol. Its IUPAC name is ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane.

Molecular Properties

Compound Nameethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane
PubChem CID10526138
Molecular FormulaC19H21IOSi
Molecular Weight420.37 g/mol
Exact Mass420.04
IUPAC Nameethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane
SMILESC=C[Si](O[C@H]1CCC[C@@H]1I)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21IOSi/c1-2-22(16-10-5-3-6-11-16,17-12-7-4-8-13-17)21-19-15-9-14-18(19)20/h2-8,10-13,18-19H,1,9,14-15H2/t18-,19-/m0/s1
InChIKeyWAUAFWWZOUZMAG-OALUTQOASA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane?
The IUPAC name of ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane (CID 10526138) is ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane.
What is the SMILES notation for ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane?
The canonical SMILES for ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane is C=C[Si](O[C@H]1CCC[C@@H]1I)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane?
The InChIKey is WAUAFWWZOUZMAG-OALUTQOASA-N. The full InChI is InChI=1S/C19H21IOSi/c1-2-22(16-10-5-3-6-11-16,17-12-7-4-8-13-17)21-19-15-9-14-18(19)20/h2-8,10-13,18-19H,1,9,14-15H2/t18-,19-/m0/s1.
What are the key properties of ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane?
ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane has a molecular weight of 420.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(1S,2S)-2-iodocyclopentyl]oxy-diphenylsilane is sourced from PubChem (CID 10526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).