[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane

C28H36O3SSi — CID 25117682

IUPAC[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H36O3SSi/c1-24(23-32(29,30)25-16-8-5-9-17-25)15-14-22-31-33(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
InChIKeyDFYGEJQDBCBLJD-XMMPIXPASA-N
MW480.75 g/mol
LogP5.45
Rot. Bonds10

About [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane

[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane (PubChem CID 25117682) has the molecular formula C28H36O3SSi and a molecular weight of 480.75 g/mol. Its IUPAC name is [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
PubChem CID25117682
Molecular FormulaC28H36O3SSi
Molecular Weight480.75 g/mol
Exact Mass480.22
IUPAC Name[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
SMILESC[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C28H36O3SSi/c1-24(23-32(29,30)25-16-8-5-9-17-25)15-14-22-31-33(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
InChIKeyDFYGEJQDBCBLJD-XMMPIXPASA-N
XLogP5.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.75
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
[6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-yl] 4-methylbenzenesulfonate
CID 59759753
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane;(5S)-8-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3-methylideneoctan-2-one;ethene
CID 160977015
[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
[(2S)-3-(1,3-benzothiazol-2-ylsulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 11827319
tert-butyl-[4-(4-fluorophenyl)sulfonyl-5-phenylpentoxy]-diphenylsilane
CID 10578797
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
[(4R)-4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-thiophen-2-ylbutoxy]-tert-butyl-diphenylsilane
CID 174687359

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane (CID 25117682) is [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane is C[C@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane?
The InChIKey is DFYGEJQDBCBLJD-XMMPIXPASA-N. The full InChI is InChI=1S/C28H36O3SSi/c1-24(23-32(29,30)25-16-8-5-9-17-25)15-14-22-31-33(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 [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane?
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane has a molecular weight of 480.75 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 25117682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).