[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate

C40H36O6Si3 — CID 162512141

IUPAC[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
SMILESCC(=O)O[Si](O[Si](O[Si](OC(C)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36O6Si3/c1-33(41)43-47(35-21-9-3-10-22-35,36-23-11-4-12-24-36)45-49(39-29-17-7-18-30-39,40-31-19-8-20-32-40)46-48(44-34(2)42,37-25-13-5-14-26-37)38-27-15-6-16-28-38/h3-32H,1-2H3
InChIKeyGJYIWHDWECKBTE-UHFFFAOYSA-N
MW696.98 g/mol
LogP3.92
Rot. Bonds12

About [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate

[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate (PubChem CID 162512141) has the molecular formula C40H36O6Si3 and a molecular weight of 696.98 g/mol. Its IUPAC name is [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate.

Molecular Properties

Compound Name[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
PubChem CID162512141
Molecular FormulaC40H36O6Si3
Molecular Weight696.98 g/mol
Exact Mass696.18
IUPAC Name[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
SMILESCC(=O)O[Si](O[Si](O[Si](OC(C)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H36O6Si3/c1-33(41)43-47(35-21-9-3-10-22-35,36-23-11-4-12-24-36)45-49(39-29-17-7-18-30-39,40-31-19-8-20-32-40)46-48(44-34(2)42,37-25-13-5-14-26-37)38-27-15-6-16-28-38/h3-32H,1-2H3
InChIKeyGJYIWHDWECKBTE-UHFFFAOYSA-N
XLogP3.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.98
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[ethyl(diphenyl)silyl] acetate
CID 66773951
[dimethoxy(phenyl)silyl] acetate
CID 66889787
bis[[methoxy(diphenyl)silyl]oxy]-diphenylsilane
CID 54456197
[acetyloxy-(aminomethyl)-phenylsilyl] acetate
CID 141215853
(methoxy-methyl-phenylsilyl) acetate
CID 122395154
[diphenyl(triphenylsilyloxy)silyl]oxy-[[[[[[diphenyl(triphenylsilyloxy)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 139707283
bis[[methyl(diphenyl)silyl]oxy]-diphenylsilane
CID 19905828
[acetyloxy-phenyl-(propan-2-ylamino)silyl] acetate
CID 154094239
[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
CID 90098236
[diacetyloxy(phenyl)silyl] 2-methoxyacetate
CID 67232627
bis[[hydroxy(dimethyl)silyl]oxy]-dimethylsilane;bis[[hydroxy(dimethyl)silyl]oxy]-diphenylsilane;methane
CID 161380032
[diphenyl(triphenylsilyloxy)silyl]oxy-[hydroxy(diphenyl)silyl]oxy-diphenylsilane
CID 18323248

Frequently Asked Questions

What is the IUPAC name of [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate?
The IUPAC name of [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate (CID 162512141) is [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate.
What is the SMILES notation for [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate?
The canonical SMILES for [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate is CC(=O)O[Si](O[Si](O[Si](OC(C)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate?
The InChIKey is GJYIWHDWECKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O6Si3/c1-33(41)43-47(35-21-9-3-10-22-35,36-23-11-4-12-24-36)45-49(39-29-17-7-18-30-39,40-31-19-8-20-32-40)46-48(44-34(2)42,37-25-13-5-14-26-37)38-27-15-6-16-28-38/h3-32H,1-2H3.
What are the key properties of [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate?
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate has a molecular weight of 696.98 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate is sourced from PubChem (CID 162512141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).