5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one

C28H34O3SSi — CID 71492716

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one
SMILESCc1ccc([S@](=O)CC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20H,11-12,21-22H2,1-4H3/t32-/m1/s1
InChIKeyQNOGFVRJGBTNGD-JGCGQSQUSA-N
MW478.73 g/mol
LogP5.03
Rot. Bonds10

About 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one

5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one (PubChem CID 71492716) has the molecular formula C28H34O3SSi and a molecular weight of 478.73 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one
PubChem CID71492716
Molecular FormulaC28H34O3SSi
Molecular Weight478.73 g/mol
Exact Mass478.20
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one
SMILESCc1ccc([S@](=O)CC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20H,11-12,21-22H2,1-4H3/t32-/m1/s1
InChIKeyQNOGFVRJGBTNGD-JGCGQSQUSA-N
XLogP5.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.73
LogP ≤ 55.03
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

(7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(4-methylphenyl)sulfonyloctan-4-one
CID 10001750
tert-butyl-[(1S)-1-[(2S,3R)-3-[(S)-(4-methylphenyl)sulfinyl]oxiran-2-yl]ethoxy]-diphenylsilane
CID 10983467
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-bis[(4-methylphenyl)sulfanyl]butan-2-one
CID 14188350
1-(4-Methylphenyl)sulfinyl-6-phenylhex-5-en-2-one
CID 90752671
tert-butyl-[5-[(S)-(4-methylphenyl)sulfinyl]pent-4-yn-2-yloxy]-diphenylsilane
CID 134941139
tert-butyl-[1-[(2S,3R)-3-[(R)-(4-methylphenyl)sulfinyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-yloxy]-diphenylsilane
CID 134941152
tert-butyl-[(2Z,6Z,10E,14E)-3,7,11,15,19-pentamethyl-9-(4-methylphenyl)sulfonylicosa-2,6,10,14,18-pentaenoxy]-diphenylsilane
CID 138983507
[(2S)-2-[bis[(S)-(4-methylphenyl)sulfinyl]methyl]hexoxy]-tert-butyl-dimethylsilane
CID 139253747
6-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
CID 10462841
(5S,6S)-7-(benzenesulfonyl)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhept-1-en-4-one
CID 11016780
Tert-butyl-[[2-methyl-3-(4-methylphenyl)sulfinyloxiran-2-yl]methoxy]-diphenylsilane
CID 101406917
6-[tert-butyl(dimethyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]hexan-2-one
CID 11068615

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one (CID 71492716) is 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one is Cc1ccc([S@](=O)CC(=O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one?
The InChIKey is QNOGFVRJGBTNGD-JGCGQSQUSA-N. The full InChI is InChI=1S/C28H34O3SSi/c1-23-17-19-25(20-18-23)32(30)22-24(29)12-11-21-31-33(28(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-20H,11-12,21-22H2,1-4H3/t32-/m1/s1.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one?
5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one has a molecular weight of 478.73 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-1-[(R)-(4-methylphenyl)sulfinyl]pentan-2-one is sourced from PubChem (CID 71492716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).