[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate

C40H44O3Si2 — CID 11169578

IUPAC[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
SMILESCC(C)(C)[Si](OCc1ccccc1C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H44O3Si2/c1-39(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-31-32-21-19-20-30-37(32)38(41)43-45(40(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-30H,31H2,1-6H3
InChIKeyTZDVTTFIYGIOFP-UHFFFAOYSA-N
MW628.96 g/mol
LogP7.48
Rot. Bonds9

About [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate

[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate (PubChem CID 11169578) has the molecular formula C40H44O3Si2 and a molecular weight of 628.96 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
PubChem CID11169578
Molecular FormulaC40H44O3Si2
Molecular Weight628.96 g/mol
Exact Mass628.28
IUPAC Name[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
SMILESCC(C)(C)[Si](OCc1ccccc1C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H44O3Si2/c1-39(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-31-32-21-19-20-30-37(32)38(41)43-45(40(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-30H,31H2,1-6H3
InChIKeyTZDVTTFIYGIOFP-UHFFFAOYSA-N
XLogP7.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.96
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-1-chloro-4-phenylbut-1-enyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11353431
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-phenylmethanol
CID 102217007
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
1-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropan-2-one
CID 91136770
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
[tert-butyl(diphenyl)silyl] butanoate
CID 91802630
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-benzimidazole-4-carboxylic acid
CID 70132244
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide
CID 10768218

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate (CID 11169578) is [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate is CC(C)(C)[Si](OCc1ccccc1C(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate?
The InChIKey is TZDVTTFIYGIOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44O3Si2/c1-39(2,3)44(33-22-11-7-12-23-33,34-24-13-8-14-25-34)42-31-32-21-19-20-30-37(32)38(41)43-45(40(4,5)6,35-26-15-9-16-27-35)36-28-17-10-18-29-36/h7-30H,31H2,1-6H3.
What are the key properties of [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate?
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate has a molecular weight of 628.96 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate is sourced from PubChem (CID 11169578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).