tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane

C20H27IOSi — CID 14262200

IUPACtert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
SMILESCC(CI)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27IOSi/c1-17(15-21)16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyNNLUGTUEACJRGQ-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane

tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane (PubChem CID 14262200) has the molecular formula C20H27IOSi and a molecular weight of 438.43 g/mol. Its IUPAC name is tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
PubChem CID14262200
Molecular FormulaC20H27IOSi
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Nametert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
SMILESCC(CI)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27IOSi/c1-17(15-21)16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyNNLUGTUEACJRGQ-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.63
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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Related Compounds

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-[(2S,5S)-2,5-dimethyl-6-phenylhexoxy]-diphenylsilane
CID 134925581
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane (CID 14262200) is tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane is CC(CI)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane?
The InChIKey is NNLUGTUEACJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27IOSi/c1-17(15-21)16-22-23(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3.
What are the key properties of tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane?
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane has a molecular weight of 438.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane is sourced from PubChem (CID 14262200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).