tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane

C29H38OSSi — CID 14545463

IUPACtert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCSc1ccccc1
InChIInChI=1S/C29H38OSSi/c1-25(22-24-31-26-16-8-5-9-17-26)15-14-23-30-32(29(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,25H,14-15,22-24H2,1-4H3/t25-/m1/s1
InChIKeyCQUMSKNZOQFMAO-RUZDIDTESA-N
MW462.78 g/mol
LogP7.16
Rot. Bonds11

About tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane

tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane (PubChem CID 14545463) has the molecular formula C29H38OSSi and a molecular weight of 462.78 g/mol. Its IUPAC name is tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane
PubChem CID14545463
Molecular FormulaC29H38OSSi
Molecular Weight462.78 g/mol
Exact Mass462.24
IUPAC Nametert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCSc1ccccc1
InChIInChI=1S/C29H38OSSi/c1-25(22-24-31-26-16-8-5-9-17-26)15-14-23-30-32(29(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,25H,14-15,22-24H2,1-4H3/t25-/m1/s1
InChIKeyCQUMSKNZOQFMAO-RUZDIDTESA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane (CID 14545463) is tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane is C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCSc1ccccc1.
What is the InChIKey of tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane?
The InChIKey is CQUMSKNZOQFMAO-RUZDIDTESA-N. The full InChI is InChI=1S/C29H38OSSi/c1-25(22-24-31-26-16-8-5-9-17-26)15-14-23-30-32(29(2,3)4,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,25H,14-15,22-24H2,1-4H3/t25-/m1/s1.
What are the key properties of tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane?
tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane has a molecular weight of 462.78 g/mol, XLogP of 7.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane is sourced from PubChem (CID 14545463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).