(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one

C21H26O2SSi — CID 11728378

IUPAC(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyIYHYJPNUNDIUQJ-KRWDZBQOSA-N
MW370.59 g/mol
LogP3.99
Rot. Bonds5

About (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one

(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one (PubChem CID 11728378) has the molecular formula C21H26O2SSi and a molecular weight of 370.59 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one
PubChem CID11728378
Molecular FormulaC21H26O2SSi
Molecular Weight370.59 g/mol
Exact Mass370.14
IUPAC Name(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)S1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyIYHYJPNUNDIUQJ-KRWDZBQOSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-3-phenylselanylthiolan-2-one
CID 12097483
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorothiolan-2-one
CID 13009258
methyl (2S)-4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoate
CID 10874243
Methyl 4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoate
CID 85297680
methyl (2R,4S)-4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoate
CID 91147412
(2S)-4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoic acid
CID 141069683
[Tert-butyl(diphenyl)silyl]oxymethyl 2-(3-fluorothiolan-2-yl)acetate
CID 141390588
tert-butyl-[[(2S)-5-tert-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 11732356
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432
tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191434
[(2S)-5-butan-2-yl-2,3-dihydrothiophen-2-yl]methoxy-tert-butyl-diphenylsilane
CID 15191436
tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane
CID 15191439

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one (CID 11728378) is (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one is CC(C)(C)[Si](OC[C@@H]1CCC(=O)S1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one?
The InChIKey is IYHYJPNUNDIUQJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26O2SSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)23-16-17-14-15-20(22)24-17/h4-13,17H,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one?
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one has a molecular weight of 370.59 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-one is sourced from PubChem (CID 11728378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).