tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane

C31H51IO2Si2 — CID 23649853

IUPACtert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane
SMILESC[C@@H](CC[C@H](CCCI)O[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H51IO2Si2/c1-26(22-23-27(17-16-24-32)34-35(8,9)30(2,3)4)25-33-36(31(5,6)7,28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-15,18-21,26-27H,16-17,22-25H2,1-9H3/t26-,27-/m0/s1
InChIKeyMODWCEXEWIKQGT-SVBPBHIXSA-N
MW638.82 g/mol
LogP8.58
Rot. Bonds13

About tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane

tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane (PubChem CID 23649853) has the molecular formula C31H51IO2Si2 and a molecular weight of 638.82 g/mol. Its IUPAC name is tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane
PubChem CID23649853
Molecular FormulaC31H51IO2Si2
Molecular Weight638.82 g/mol
Exact Mass638.25
IUPAC Nametert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane
SMILESC[C@@H](CC[C@H](CCCI)O[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H51IO2Si2/c1-26(22-23-27(17-16-24-32)34-35(8,9)30(2,3)4)25-33-36(31(5,6)7,28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-15,18-21,26-27H,16-17,22-25H2,1-9H3/t26-,27-/m0/s1
InChIKeyMODWCEXEWIKQGT-SVBPBHIXSA-N
XLogP8.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.82
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

tert-butyl-[(3R,4R,5R)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
CID 154722618
tert-butyl-[(3R,4R,5S)-5-iodo-4-methyl-1-phenylhexan-3-yl]oxy-dimethylsilane
CID 154722619
Ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane
CID 10983233
Silane, diphenyl(3-cyclohexenylmethoxy))nonyloxy-
CID 91700507
Silane, diphenyl(3-cyclohexenylmethoxy)decyloxy-
CID 91700508
Silane, diphenyl(3-cyclohexenylmethoxy))undecyloxy-
CID 91700509
Silane, diphenylbutoxy(2-ethylcyclohexyloxy)-
CID 91732153
Silane, diphenyl(3,5-dimethylcyclohexyloxy)undecyloxy-
CID 91732605
Silane, diphenyl(3,5-dimethylcyclohexyloxy)nonyloxy-
CID 91732643
Silane, diphenyl(3,5-dimethylcyclohexyloxy)octyloxy-
CID 91732645
Silane, diphenyl(3-methylpentyloxy)octyloxy-
CID 91732735
Silane, diphenyl(3-methylpentyloxy)nonyloxy-
CID 91732742

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane (CID 23649853) is tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane is C[C@@H](CC[C@H](CCCI)O[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane?
The InChIKey is MODWCEXEWIKQGT-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H51IO2Si2/c1-26(22-23-27(17-16-24-32)34-35(8,9)30(2,3)4)25-33-36(31(5,6)7,28-18-12-10-13-19-28)29-20-14-11-15-21-29/h10-15,18-21,26-27H,16-17,22-25H2,1-9H3/t26-,27-/m0/s1.
What are the key properties of tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane?
tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane has a molecular weight of 638.82 g/mol, XLogP of 8.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methyloctoxy]-diphenylsilane is sourced from PubChem (CID 23649853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).