[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane

C45H44O3Si2 — CID 15400444

IUPAC[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane
SMILESC(\CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(\COC1CCCCO1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H44O3Si2/c1-7-21-38(22-8-1)49(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44(37-47-45-33-19-20-35-46-45)34-36-48-50(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-18,21-32,34,45H,19-20,33,35-37H2/b44-34+
InChIKeyGDOZNGYWIVQXHF-WTCPEQCQSA-N
MW689.02 g/mol
LogP5.85
Rot. Bonds13

About [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane

[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane (PubChem CID 15400444) has the molecular formula C45H44O3Si2 and a molecular weight of 689.02 g/mol. Its IUPAC name is [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane.

Molecular Properties

Compound Name[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane
PubChem CID15400444
Molecular FormulaC45H44O3Si2
Molecular Weight689.02 g/mol
Exact Mass688.28
IUPAC Name[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane
SMILESC(\CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(\COC1CCCCO1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H44O3Si2/c1-7-21-38(22-8-1)49(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44(37-47-45-33-19-20-35-46-45)34-36-48-50(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-18,21-32,34,45H,19-20,33,35-37H2/b44-34+
InChIKeyGDOZNGYWIVQXHF-WTCPEQCQSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.02
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-(2-methylidene-4-phenylbutoxy)oxane
CID 86001164
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
2-(oxan-2-yloxymethyl)-1-phenylpent-1-en-3-ol
CID 72615709
2-[(Z)-3-(2-methylphenyl)but-2-enoxy]oxane
CID 102509927
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
1-naphthalen-2-yl-2-(oxan-2-yloxy)ethanone
CID 10945509
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane?
The IUPAC name of [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane (CID 15400444) is [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane.
What is the SMILES notation for [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane?
The canonical SMILES for [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane is C(\CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C(\COC1CCCCO1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane?
The InChIKey is GDOZNGYWIVQXHF-WTCPEQCQSA-N. The full InChI is InChI=1S/C45H44O3Si2/c1-7-21-38(22-8-1)49(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44(37-47-45-33-19-20-35-46-45)34-36-48-50(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-18,21-32,34,45H,19-20,33,35-37H2/b44-34+.
What are the key properties of [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane?
[(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane has a molecular weight of 689.02 g/mol, XLogP of 5.85, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(oxan-2-yloxy)-3-triphenylsilylbut-2-enoxy]-triphenylsilane is sourced from PubChem (CID 15400444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).