tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane

C28H36OSSi — CID 25123026

IUPACtert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CSc1ccccc1
InChIInChI=1S/C28H36OSSi/c1-24(23-30-25-16-8-5-9-17-25)15-14-22-29-31(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21,24H,14-15,22-23H2,1-4H3/t24-/m1/s1
InChIKeyNGMJNPOYOZVDFH-XMMPIXPASA-N
MW448.75 g/mol
LogP6.77
Rot. Bonds10

About tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane

tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane (PubChem CID 25123026) has the molecular formula C28H36OSSi and a molecular weight of 448.75 g/mol. Its IUPAC name is tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
PubChem CID25123026
Molecular FormulaC28H36OSSi
Molecular Weight448.75 g/mol
Exact Mass448.23
IUPAC Nametert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CSc1ccccc1
InChIInChI=1S/C28H36OSSi/c1-24(23-30-25-16-8-5-9-17-25)15-14-22-29-31(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21,24H,14-15,22-23H2,1-4H3/t24-/m1/s1
InChIKeyNGMJNPOYOZVDFH-XMMPIXPASA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.75
LogP ≤ 56.77
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-5-phenylsulfanylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane (CID 25123026) is tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane is C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CSc1ccccc1.
What is the InChIKey of tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
The InChIKey is NGMJNPOYOZVDFH-XMMPIXPASA-N. The full InChI is InChI=1S/C28H36OSSi/c1-24(23-30-25-16-8-5-9-17-25)15-14-22-29-31(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-13,16-21,24H,14-15,22-23H2,1-4H3/t24-/m1/s1.
What are the key properties of tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane?
tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane has a molecular weight of 448.75 g/mol, XLogP of 6.77, 10 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-5-phenylsulfanylpentoxy]-diphenylsilane is sourced from PubChem (CID 25123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).