tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane

C27H33NOSi — CID 70199618

IUPACtert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=Cc1cccnc1
InChIInChI=1S/C27H33NOSi/c1-6-26(22(2)20-23-14-13-19-28-21-23)29-30(27(3,4)5,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-21,26H,6H2,1-5H3
InChIKeyJUMNBXYYCZGHJA-UHFFFAOYSA-N
MW415.65 g/mol
LogP5.84
Rot. Bonds7

About tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane

tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane (PubChem CID 70199618) has the molecular formula C27H33NOSi and a molecular weight of 415.65 g/mol. Its IUPAC name is tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane
PubChem CID70199618
Molecular FormulaC27H33NOSi
Molecular Weight415.65 g/mol
Exact Mass415.23
IUPAC Nametert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=Cc1cccnc1
InChIInChI=1S/C27H33NOSi/c1-6-26(22(2)20-23-14-13-19-28-21-23)29-30(27(3,4)5,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-21,26H,6H2,1-5H3
InChIKeyJUMNBXYYCZGHJA-UHFFFAOYSA-N
XLogP5.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-en-1-ol
CID 56996652
tert-butyl-[(E,3S)-5-iodo-2-methyl-1-pyridin-3-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68951593
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-3-ylpent-4-enyl]-triphenylphosphanium
CID 173129284
tert-butyl-[(E,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-pyridin-4-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68947226
(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane
CID 157329912
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-2-ylpent-4-enyl]-triphenylphosphanium iodide
CID 173080426
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-ol
CID 68953491
tert-butyl-[(5E)-2,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321594
2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
3-(2-methyl-3-nitrosobut-1-enyl)pyridine
CID 90941422

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane?
The IUPAC name of tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane (CID 70199618) is tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane?
The canonical SMILES for tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane is CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)=Cc1cccnc1.
What is the InChIKey of tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane?
The InChIKey is JUMNBXYYCZGHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NOSi/c1-6-26(22(2)20-23-14-13-19-28-21-23)29-30(27(3,4)5,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-21,26H,6H2,1-5H3.
What are the key properties of tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane?
tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane has a molecular weight of 415.65 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methyl-1-pyridin-3-ylpent-1-en-3-yl)oxy-diphenylsilane is sourced from PubChem (CID 70199618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).