tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane

C34H58O4SSi2 — CID 68849034

IUPACtert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(CCc1ccc(S(=O)(=O)c2ccc(CCC(C)(C)O[Si](C)(C)C(C)(C)C)cc2)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58O4SSi2/c1-31(2,3)40(11,12)37-33(7,8)25-23-27-15-19-29(20-16-27)39(35,36)30-21-17-28(18-22-30)24-26-34(9,10)38-41(13,14)32(4,5)6/h15-22H,23-26H2,1-14H3
InChIKeyIRAWKZHKZOBOKD-UHFFFAOYSA-N
MW619.07 g/mol
LogP9.99
Rot. Bonds12

About tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane

tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane (PubChem CID 68849034) has the molecular formula C34H58O4SSi2 and a molecular weight of 619.07 g/mol. Its IUPAC name is tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane
PubChem CID68849034
Molecular FormulaC34H58O4SSi2
Molecular Weight619.07 g/mol
Exact Mass618.36
IUPAC Nametert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane
SMILESCC(C)(CCc1ccc(S(=O)(=O)c2ccc(CCC(C)(C)O[Si](C)(C)C(C)(C)C)cc2)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58O4SSi2/c1-31(2,3)40(11,12)37-33(7,8)25-23-27-15-19-29(20-16-27)39(35,36)30-21-17-28(18-22-30)24-26-34(9,10)38-41(13,14)32(4,5)6/h15-22H,23-26H2,1-14H3
InChIKeyIRAWKZHKZOBOKD-UHFFFAOYSA-N
XLogP9.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.07
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane (CID 68849034) is tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane is CC(C)(CCc1ccc(S(=O)(=O)c2ccc(CCC(C)(C)O[Si](C)(C)C(C)(C)C)cc2)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane?
The InChIKey is IRAWKZHKZOBOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58O4SSi2/c1-31(2,3)40(11,12)37-33(7,8)25-23-27-15-19-29(20-16-27)39(35,36)30-21-17-28(18-22-30)24-26-34(9,10)38-41(13,14)32(4,5)6/h15-22H,23-26H2,1-14H3.
What are the key properties of tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane?
tert-butyl-[4-[4-[4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane has a molecular weight of 619.07 g/mol, XLogP of 9.99, 12 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-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]phenyl]sulfonylphenyl]-2-methylbutan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 68849034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).