tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane

C28H34O2SSi — CID 10863530

IUPACtert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
SMILESC[C@@H](/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[S@@](=O)c1ccccc1
InChIInChI=1S/C28H34O2SSi/c1-24(23-31(29)25-16-8-5-9-17-25)15-14-22-30-32(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-21,24H,22-23H2,1-4H3/b15-14-/t24-,31+/m0/s1
InChIKeyYJHFZDKKXCVBSM-PDRRCWKTSA-N
MW462.73 g/mol
LogP5.56
Rot. Bonds9

About tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane

tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane (PubChem CID 10863530) has the molecular formula C28H34O2SSi and a molecular weight of 462.73 g/mol. Its IUPAC name is tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
PubChem CID10863530
Molecular FormulaC28H34O2SSi
Molecular Weight462.73 g/mol
Exact Mass462.20
IUPAC Nametert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
SMILESC[C@@H](/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[S@@](=O)c1ccccc1
InChIInChI=1S/C28H34O2SSi/c1-24(23-31(29)25-16-8-5-9-17-25)15-14-22-30-32(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-21,24H,22-23H2,1-4H3/b15-14-/t24-,31+/m0/s1
InChIKeyYJHFZDKKXCVBSM-PDRRCWKTSA-N
XLogP5.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.73
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyldiphenyl(2-(phenylsulfonyl)ethyl)silane
CID 11014023
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
CID 15935891
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038737
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038738
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038741
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]-3-methylbutan-2-ol
CID 25038742

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane (CID 10863530) is tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane is C[C@@H](/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[S@@](=O)c1ccccc1.
What is the InChIKey of tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane?
The InChIKey is YJHFZDKKXCVBSM-PDRRCWKTSA-N. The full InChI is InChI=1S/C28H34O2SSi/c1-24(23-31(29)25-16-8-5-9-17-25)15-14-22-30-32(28(2,3)4,26-18-10-6-11-19-26)27-20-12-7-13-21-27/h5-21,24H,22-23H2,1-4H3/b15-14-/t24-,31+/m0/s1.
What are the key properties of tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane?
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane has a molecular weight of 462.73 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane is sourced from PubChem (CID 10863530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).