tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane

C32H52O4Si2 — CID 68636763

IUPACtert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(COCC=CCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C32H52O4Si2/c1-31(2,3)37(7,8)35-25-29-17-13-27(14-18-29)23-33-21-11-12-22-34-24-28-15-19-30(20-16-28)26-36-38(9,10)32(4,5)6/h11-20H,21-26H2,1-10H3
InChIKeyIHVGCQQRJVOYSY-UHFFFAOYSA-N
MW556.94 g/mol
LogP9.02
Rot. Bonds14

About tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane (PubChem CID 68636763) has the molecular formula C32H52O4Si2 and a molecular weight of 556.94 g/mol. Its IUPAC name is tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
PubChem CID68636763
Molecular FormulaC32H52O4Si2
Molecular Weight556.94 g/mol
Exact Mass556.34
IUPAC Nametert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(COCC=CCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C32H52O4Si2/c1-31(2,3)37(7,8)35-25-29-17-13-27(14-18-29)23-33-21-11-12-22-34-24-28-15-19-30(20-16-28)26-36-38(9,10)32(4,5)6/h11-20H,21-26H2,1-10H3
InChIKeyIHVGCQQRJVOYSY-UHFFFAOYSA-N
XLogP9.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.94
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

tert-butyl-[[4-[2-[4-[2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]ethoxy]but-2-enoxy]ethoxymethyl]phenyl]methoxy]-dimethylsilane
CID 76826455
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
tert-butyl-dimethyl-[[4-[[(E)-tridec-2-enoxy]methyl]phenyl]methoxy]silane
CID 10717621
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800
tert-butyl-[[4-(4-chlorobutyl)phenyl]methoxy]-dimethylsilane
CID 24796696
4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-1,1,1-trifluorobutan-2-one
CID 159418209
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane (CID 68636763) is tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc(COCC=CCOCc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is IHVGCQQRJVOYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O4Si2/c1-31(2,3)37(7,8)35-25-29-17-13-27(14-18-29)23-33-21-11-12-22-34-24-28-15-19-30(20-16-28)26-36-38(9,10)32(4,5)6/h11-20H,21-26H2,1-10H3.
What are the key properties of tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 556.94 g/mol, XLogP of 9.02, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 68636763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).