tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane

C29H34O2Si — CID 134872566

IUPACtert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
SMILESC#C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H34O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h1,6-14,16-17,19-22,26H,15,18,23-24H2,2-4H3/t26-/m0/s1
InChIKeyNAFMYXDSFGYQGS-SANMLTNESA-N
MW442.68 g/mol
LogP5.56
Rot. Bonds10

About tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane

tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane (PubChem CID 134872566) has the molecular formula C29H34O2Si and a molecular weight of 442.68 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
PubChem CID134872566
Molecular FormulaC29H34O2Si
Molecular Weight442.68 g/mol
Exact Mass442.23
IUPAC Nametert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
SMILESC#C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H34O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h1,6-14,16-17,19-22,26H,15,18,23-24H2,2-4H3/t26-/m0/s1
InChIKeyNAFMYXDSFGYQGS-SANMLTNESA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
[(5S,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-phenylmethoxytridec-6-ynoxy]-tert-butyl-diphenylsilane
CID 164671859
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane (CID 134872566) is tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane is C#C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane?
The InChIKey is NAFMYXDSFGYQGS-SANMLTNESA-N. The full InChI is InChI=1S/C29H34O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h1,6-14,16-17,19-22,26H,15,18,23-24H2,2-4H3/t26-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane?
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane has a molecular weight of 442.68 g/mol, XLogP of 5.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane is sourced from PubChem (CID 134872566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).