(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one

C27H28O3SSi — CID 10874210

IUPAC(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one
SMILESCC(C)(C)[Si](OC[C@@H]1C=C(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28O3SSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-19,21H,20H2,1-3H3/t21-/m0/s1
InChIKeyWRQLTDXQFGNBSA-NRFANRHFSA-N
MW460.67 g/mol
LogP5.16
Rot. Bonds7

About (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one (PubChem CID 10874210) has the molecular formula C27H28O3SSi and a molecular weight of 460.67 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one
PubChem CID10874210
Molecular FormulaC27H28O3SSi
Molecular Weight460.67 g/mol
Exact Mass460.15
IUPAC Name(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one
SMILESCC(C)(C)[Si](OC[C@@H]1C=C(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28O3SSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-19,21H,20H2,1-3H3/t21-/m0/s1
InChIKeyWRQLTDXQFGNBSA-NRFANRHFSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (S)-
CID 10991787
(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
CID 10991789
ethyl (2E,4Z,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-4-phenylsulfanylnona-2,4-dienoate
CID 135007478
2-(6,6-Difluorocyclohexa-2,4-dien-1-yl)oxyethyl 2-methylprop-2-enoate;triphenylsulfanium
CID 158199845
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 102001880
(2-Oxo-4a,8a-dihydrochromen-3-yl)-diphenylsulfanium
CID 153431264
methyl (E,5S,6S)-7-(benzenesulfinyl)-5-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-2-enoate
CID 10885983
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2H-furan-5-one
CID 13459971
methyl (E,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-(2-phenylsulfanylacetyl)oxyhex-2-enoate
CID 14928535
methyl (E,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(2R)-2-phenylsulfanylpropanoyl]oxyhex-2-enoate
CID 14928536
S-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-2-[(2S)-5-oxo-2H-furan-2-yl]ethyl] ethanethioate
CID 44550195
ethyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylsulfanylpent-2-enoate
CID 49794202

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one (CID 10874210) is (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one is CC(C)(C)[Si](OC[C@@H]1C=C(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one?
The InChIKey is WRQLTDXQFGNBSA-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28O3SSi/c1-27(2,3)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)29-20-21-19-25(26(28)30-21)31-22-13-7-4-8-14-22/h4-19,21H,20H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one?
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one has a molecular weight of 460.67 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 10874210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).