tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane

C24H33IOSi — CID 10719924

IUPACtert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
SMILESCCCCC[C@H](/C=C/I)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33IOSi/c1-5-6-9-14-21(19-20-25)26-27(24(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h7-8,10-13,15-21H,5-6,9,14H2,1-4H3/b20-19+/t21-/m1/s1
InChIKeyFBPZRAMNLOHAEK-RABMLOOZSA-N
MW492.52 g/mol
LogP6.46
Rot. Bonds9

About tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane

tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane (PubChem CID 10719924) has the molecular formula C24H33IOSi and a molecular weight of 492.52 g/mol. Its IUPAC name is tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
PubChem CID10719924
Molecular FormulaC24H33IOSi
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Nametert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
SMILESCCCCC[C@H](/C=C/I)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33IOSi/c1-5-6-9-14-21(19-20-25)26-27(24(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h7-8,10-13,15-21H,5-6,9,14H2,1-4H3/b20-19+/t21-/m1/s1
InChIKeyFBPZRAMNLOHAEK-RABMLOOZSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane 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-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane (CID 10719924) is tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane is CCCCC[C@H](/C=C/I)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane?
The InChIKey is FBPZRAMNLOHAEK-RABMLOOZSA-N. The full InChI is InChI=1S/C24H33IOSi/c1-5-6-9-14-21(19-20-25)26-27(24(2,3)4,22-15-10-7-11-16-22)23-17-12-8-13-18-23/h7-8,10-13,15-21H,5-6,9,14H2,1-4H3/b20-19+/t21-/m1/s1.
What are the key properties of tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane?
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane has a molecular weight of 492.52 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 10719924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).