tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane

C21H26OSi — CID 59466777

IUPACtert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
SMILESC#CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSi/c1-6-13-18(2)22-23(21(3,4)5,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-18H,13H2,2-5H3/t18-/m0/s1
InChIKeyLFDGOOPKRJICSO-SFHVURJKSA-N
MW322.52 g/mol
LogP3.97
Rot. Bonds5

About tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane (PubChem CID 59466777) has the molecular formula C21H26OSi and a molecular weight of 322.52 g/mol. Its IUPAC name is tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
PubChem CID59466777
Molecular FormulaC21H26OSi
Molecular Weight322.52 g/mol
Exact Mass322.18
IUPAC Nametert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
SMILESC#CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSi/c1-6-13-18(2)22-23(21(3,4)5,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-18H,13H2,2-5H3/t18-/m0/s1
InChIKeyLFDGOOPKRJICSO-SFHVURJKSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane (CID 59466777) is tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane is C#CC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane?
The InChIKey is LFDGOOPKRJICSO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26OSi/c1-6-13-18(2)22-23(21(3,4)5,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h1,7-12,14-18H,13H2,2-5H3/t18-/m0/s1.
What are the key properties of tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane has a molecular weight of 322.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 59466777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).