tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane

C21H29IOSi — CID 122389486

IUPACtert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
SMILESC[C@@H](CCCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29IOSi/c1-18(12-11-17-22)23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,18H,11-12,17H2,1-4H3/t18-/m0/s1
InChIKeyWZODTXDSRGWNNM-SFHVURJKSA-N
MW452.45 g/mol
LogP5.17
Rot. Bonds7

About tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane (PubChem CID 122389486) has the molecular formula C21H29IOSi and a molecular weight of 452.45 g/mol. Its IUPAC name is tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
PubChem CID122389486
Molecular FormulaC21H29IOSi
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC Nametert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
SMILESC[C@@H](CCCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H29IOSi/c1-18(12-11-17-22)23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,18H,11-12,17H2,1-4H3/t18-/m0/s1
InChIKeyWZODTXDSRGWNNM-SFHVURJKSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.17
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

tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-6-iodohexanoic acid
CID 134940913
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
(17S)-17-[tert-butyl(diphenyl)silyl]oxyoctadeca-4,12-diyn-1-ol
CID 153316530
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane (CID 122389486) is tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane is C[C@@H](CCCI)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane?
The InChIKey is WZODTXDSRGWNNM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29IOSi/c1-18(12-11-17-22)23-24(21(2,3)4,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,18H,11-12,17H2,1-4H3/t18-/m0/s1.
What are the key properties of tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane has a molecular weight of 452.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 122389486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).