5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal

C28H34O2SSi — CID 10950647

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal
SMILESCC(C=O)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Sc1ccccc1
InChIInChI=1S/C28H34O2SSi/c1-27(2,3)32(25-17-10-6-11-18-25,26-19-12-7-13-20-26)30-22-14-21-28(4,23-29)31-24-15-8-5-9-16-24/h5-13,15-20,23H,14,21-22H2,1-4H3
InChIKeyOTUXDGLMUKTIOY-UHFFFAOYSA-N
MW462.73 g/mol
LogP6.09
Rot. Bonds10

About 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal

5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal (PubChem CID 10950647) has the molecular formula C28H34O2SSi and a molecular weight of 462.73 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal
PubChem CID10950647
Molecular FormulaC28H34O2SSi
Molecular Weight462.73 g/mol
Exact Mass462.20
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal
SMILESCC(C=O)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Sc1ccccc1
InChIInChI=1S/C28H34O2SSi/c1-27(2,3)32(25-17-10-6-11-18-25,26-19-12-7-13-20-26)30-22-14-21-28(4,23-29)31-24-15-8-5-9-16-24/h5-13,15-20,23H,14,21-22H2,1-4H3
InChIKeyOTUXDGLMUKTIOY-UHFFFAOYSA-N
XLogP6.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.73
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-[dimethyl(phenyl)silyl]-2,5-dimethyl-2-phenylsulfanylhexanal
CID 10044697
(2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexanal
CID 10428371
S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate
CID 10319179
(3S,4S)-5-(benzenesulfinyl)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylpentanal
CID 10906935
tert-butyl-[(4R)-4-methyl-6-phenylsulfanylhexoxy]-diphenylsilane
CID 14545463
tert-butyl-[(4R)-4-methyl-5-phenylsulfanylpentoxy]-diphenylsilane
CID 25123026
S-phenyl 5-[tert-butyl(diphenyl)silyl]oxypentanethioate
CID 101374477
(2R,3S)-3-[dimethyl(phenyl)silyl]-2,5-dimethyl-2-phenylsulfanylhexanal
CID 101665111
(2R,3S)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexanal
CID 101665112
(2E)-2-(3-{[tert-Butyl(dimethyl)silyl]oxy}propyl)-3-methyl-5-(phenylsulfanyl)pent-2-enal
CID 165340819
S-phenyl 6-[tert-butyl(diphenyl)silyl]oxy-4-cyano-4-ethylhexanethioate
CID 177454426

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal (CID 10950647) is 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal is CC(C=O)(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Sc1ccccc1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal?
The InChIKey is OTUXDGLMUKTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O2SSi/c1-27(2,3)32(25-17-10-6-11-18-25,26-19-12-7-13-20-26)30-22-14-21-28(4,23-29)31-24-15-8-5-9-16-24/h5-13,15-20,23H,14,21-22H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal?
5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-phenylsulfanylpentanal has a molecular weight of 462.73 g/mol, XLogP of 6.09, 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-2-methyl-2-phenylsulfanylpentanal is sourced from PubChem (CID 10950647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).