tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane

C27H30OSi — CID 135013582

IUPACtert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
SMILESC#CC(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H30OSi/c1-5-24(22-21-23-15-9-6-10-16-23)28-29(27(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h1,6-20,24H,21-22H2,2-4H3
InChIKeyOQTXFXBIGFBRCO-UHFFFAOYSA-N
MW398.62 g/mol
LogP5.20
Rot. Bonds7

About tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane

tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane (PubChem CID 135013582) has the molecular formula C27H30OSi and a molecular weight of 398.62 g/mol. Its IUPAC name is tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
PubChem CID135013582
Molecular FormulaC27H30OSi
Molecular Weight398.62 g/mol
Exact Mass398.21
IUPAC Nametert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
SMILESC#CC(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H30OSi/c1-5-24(22-21-23-15-9-6-10-16-23)28-29(27(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h1,6-20,24H,21-22H2,2-4H3
InChIKeyOQTXFXBIGFBRCO-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 55.20
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-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylpentanenitrile
CID 50901805
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
1,7-bis(4-bromophenyl)heptan-4-yloxy-tert-butyl-diphenylsilane
CID 19825362
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane (CID 135013582) is tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane is C#CC(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane?
The InChIKey is OQTXFXBIGFBRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30OSi/c1-5-24(22-21-23-15-9-6-10-16-23)28-29(27(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h1,6-20,24H,21-22H2,2-4H3.
What are the key properties of tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane?
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane has a molecular weight of 398.62 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane is sourced from PubChem (CID 135013582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).