tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane

C33H37NOSi — CID 101230037

IUPACtert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane
SMILESCc1ccccc1/C(=C/c1ccccn1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H37NOSi/c1-27-16-11-12-23-32(27)28(26-29-18-13-14-24-34-29)17-15-25-35-36(33(2,3)4,30-19-7-5-8-20-30)31-21-9-6-10-22-31/h5-14,16,18-24,26H,15,17,25H2,1-4H3/b28-26+
InChIKeyGJGLSQMIGQPYBT-BYCLXTJYSA-N
MW491.75 g/mol
LogP7.29
Rot. Bonds9

About tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane

tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane (PubChem CID 101230037) has the molecular formula C33H37NOSi and a molecular weight of 491.75 g/mol. Its IUPAC name is tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane
PubChem CID101230037
Molecular FormulaC33H37NOSi
Molecular Weight491.75 g/mol
Exact Mass491.26
IUPAC Nametert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane
SMILESCc1ccccc1/C(=C/c1ccccn1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H37NOSi/c1-27-16-11-12-23-32(27)28(26-29-18-13-14-24-34-29)17-15-25-35-36(33(2,3)4,30-19-7-5-8-20-30)31-21-9-6-10-22-31/h5-14,16,18-24,26H,15,17,25H2,1-4H3/b28-26+
InChIKeyGJGLSQMIGQPYBT-BYCLXTJYSA-N
XLogP7.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.75
LogP ≤ 57.29
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'}

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Related Compounds

[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-pyridin-2-ylpent-4-enyl]-triphenylphosphanium iodide
CID 173080426
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
CID 11825519
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane (CID 101230037) is tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane is Cc1ccccc1/C(=C/c1ccccn1)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane?
The InChIKey is GJGLSQMIGQPYBT-BYCLXTJYSA-N. The full InChI is InChI=1S/C33H37NOSi/c1-27-16-11-12-23-32(27)28(26-29-18-13-14-24-34-29)17-15-25-35-36(33(2,3)4,30-19-7-5-8-20-30)31-21-9-6-10-22-31/h5-14,16,18-24,26H,15,17,25H2,1-4H3/b28-26+.
What are the key properties of tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane?
tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane has a molecular weight of 491.75 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-(2-methylphenyl)-5-pyridin-2-ylpent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 101230037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).