[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate

C50H72O6Si2 — CID 58846934

IUPAC[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate
SMILESCC(C)(C)[Si](OCCOCCOCCOCCCCCCCCCCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H72O6Si2/c1-49(2,3)57(44-28-18-14-19-29-44,45-30-20-15-21-31-45)55-43-42-54-41-40-53-39-38-52-37-27-13-11-9-7-8-10-12-26-36-48(51)56-58(50(4,5)6,46-32-22-16-23-33-46)47-34-24-17-25-35-47/h14-25,28-35H,7-13,26-27,36-43H2,1-6H3
InChIKeyCNBGPFXVZDMENW-UHFFFAOYSA-N
MW825.29 g/mol
LogP9.62
Rot. Bonds27

About [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate

[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate (PubChem CID 58846934) has the molecular formula C50H72O6Si2 and a molecular weight of 825.29 g/mol. Its IUPAC name is [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate.

Molecular Properties

Compound Name[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate
PubChem CID58846934
Molecular FormulaC50H72O6Si2
Molecular Weight825.29 g/mol
Exact Mass824.49
IUPAC Name[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate
SMILESCC(C)(C)[Si](OCCOCCOCCOCCCCCCCCCCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H72O6Si2/c1-49(2,3)57(44-28-18-14-19-29-44,45-30-20-15-21-31-45)55-43-42-54-41-40-53-39-38-52-37-27-13-11-9-7-8-10-12-26-36-48(51)56-58(50(4,5)6,46-32-22-16-23-33-46)47-34-24-17-25-35-47/h14-25,28-35H,7-13,26-27,36-43H2,1-6H3
InChIKeyCNBGPFXVZDMENW-UHFFFAOYSA-N
XLogP9.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.29
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate?
The IUPAC name of [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate (CID 58846934) is [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate.
What is the SMILES notation for [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate?
The canonical SMILES for [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate is CC(C)(C)[Si](OCCOCCOCCOCCCCCCCCCCCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate?
The InChIKey is CNBGPFXVZDMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H72O6Si2/c1-49(2,3)57(44-28-18-14-19-29-44,45-30-20-15-21-31-45)55-43-42-54-41-40-53-39-38-52-37-27-13-11-9-7-8-10-12-26-36-48(51)56-58(50(4,5)6,46-32-22-16-23-33-46)47-34-24-17-25-35-47/h14-25,28-35H,7-13,26-27,36-43H2,1-6H3.
What are the key properties of [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate?
[tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate has a molecular weight of 825.29 g/mol, XLogP of 9.62, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(diphenyl)silyl] 12-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]dodecanoate is sourced from PubChem (CID 58846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).