tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane

C36H60O6Si2 — CID 58596731

IUPACtert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(COCCOC/C=C/COCCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C36H60O6Si2/c1-35(2,3)43(7,8)41-29-33-17-13-31(14-18-33)27-39-25-23-37-21-11-12-22-38-24-26-40-28-32-15-19-34(20-16-32)30-42-44(9,10)36(4,5)6/h11-20H,21-30H2,1-10H3/b12-11+
InChIKeyGNAMMXUNDBQPOH-VAWYXSNFSA-N
MW645.04 g/mol
LogP9.05
Rot. Bonds20

About tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane (PubChem CID 58596731) has the molecular formula C36H60O6Si2 and a molecular weight of 645.04 g/mol. Its IUPAC name is tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
PubChem CID58596731
Molecular FormulaC36H60O6Si2
Molecular Weight645.04 g/mol
Exact Mass644.39
IUPAC Nametert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(COCCOC/C=C/COCCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C36H60O6Si2/c1-35(2,3)43(7,8)41-29-33-17-13-31(14-18-33)27-39-25-23-37-21-11-12-22-38-24-26-40-28-32-15-19-34(20-16-32)30-42-44(9,10)36(4,5)6/h11-20H,21-30H2,1-10H3/b12-11+
InChIKeyGNAMMXUNDBQPOH-VAWYXSNFSA-N
XLogP9.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.04
LogP ≤ 59.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane (CID 58596731) is tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(COCCOC/C=C/COCCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is GNAMMXUNDBQPOH-VAWYXSNFSA-N. The full InChI is InChI=1S/C36H60O6Si2/c1-35(2,3)43(7,8)41-29-33-17-13-31(14-18-33)27-39-25-23-37-21-11-12-22-38-24-26-40-28-32-15-19-34(20-16-32)30-42-44(9,10)36(4,5)6/h11-20H,21-30H2,1-10H3/b12-11+.
What are the key properties of tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 645.04 g/mol, XLogP of 9.05, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[2-[(E)-4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 58596731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).