tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane

C19H33IOSi — CID 154722619

IUPACtert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
SMILESC[C@@H]([C@H](C)I)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33IOSi/c1-15(16(2)20)18(21-22(6,7)19(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16-,18+/m0/s1
InChIKeyQVBPIXMMWMCVAR-XYJFISCASA-N
MW432.46 g/mol
LogP6.47
Rot. Bonds7

About tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane (PubChem CID 154722619) has the molecular formula C19H33IOSi and a molecular weight of 432.46 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
PubChem CID154722619
Molecular FormulaC19H33IOSi
Molecular Weight432.46 g/mol
Exact Mass432.13
IUPAC Nametert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
SMILESC[C@@H]([C@H](C)I)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33IOSi/c1-15(16(2)20)18(21-22(6,7)19(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16-,18+/m0/s1
InChIKeyQVBPIXMMWMCVAR-XYJFISCASA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.47
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'}

Analyze tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane 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-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane (CID 154722619) is tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane is C[C@@H]([C@H](C)I)[C@@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane?
The InChIKey is QVBPIXMMWMCVAR-XYJFISCASA-N. The full InChI is InChI=1S/C19H33IOSi/c1-15(16(2)20)18(21-22(6,7)19(3,4)5)14-13-17-11-9-8-10-12-17/h8-12,15-16,18H,13-14H2,1-7H3/t15-,16-,18+/m0/s1.
What are the key properties of tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane has a molecular weight of 432.46 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 154722619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).