tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane

C25H37IOSi — CID 25001335

IUPACtert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane
SMILESCC(C)C[C@H](C[C@@H](C)CI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37IOSi/c1-20(2)17-22(18-21(3)19-26)27-28(25(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,20-22H,17-19H2,1-6H3/t21-,22-/m1/s1
InChIKeyGBQSVDKPMZQBDI-FGZHOGPDSA-N
MW508.56 g/mol
LogP6.44
Rot. Bonds9

About tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane

tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane (PubChem CID 25001335) has the molecular formula C25H37IOSi and a molecular weight of 508.56 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane
PubChem CID25001335
Molecular FormulaC25H37IOSi
Molecular Weight508.56 g/mol
Exact Mass508.17
IUPAC Nametert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane
SMILESCC(C)C[C@H](C[C@@H](C)CI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37IOSi/c1-20(2)17-22(18-21(3)19-26)27-28(25(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,20-22H,17-19H2,1-6H3/t21-,22-/m1/s1
InChIKeyGBQSVDKPMZQBDI-FGZHOGPDSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 56.44
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-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-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

Related Compounds

tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane (CID 25001335) is tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane is CC(C)C[C@H](C[C@@H](C)CI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane?
The InChIKey is GBQSVDKPMZQBDI-FGZHOGPDSA-N. The full InChI is InChI=1S/C25H37IOSi/c1-20(2)17-22(18-21(3)19-26)27-28(25(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,20-22H,17-19H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane?
tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane has a molecular weight of 508.56 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 25001335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).