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

C23H30O3SSi — CID 15126098

IUPAC[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C23H30O3SSi/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m0/s1
InChIKeyXTOYTTNREVGAJY-YDNXMHBPSA-N
MW414.64 g/mol
LogP4.35
Rot. Bonds6

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

[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate (PubChem CID 15126098) has the molecular formula C23H30O3SSi and a molecular weight of 414.64 g/mol. Its IUPAC name is [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate.

Molecular Properties

Compound Name[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate
PubChem CID15126098
Molecular FormulaC23H30O3SSi
Molecular Weight414.64 g/mol
Exact Mass414.17
IUPAC Name[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate
SMILESCC(=O)OC1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
InChIInChI=1S/C23H30O3SSi/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m0/s1
InChIKeyXTOYTTNREVGAJY-YDNXMHBPSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 54.35
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

(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorothiolan-2-one
CID 13009258
[(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate
CID 44370727
[2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] acetate
CID 11531780
1,3-Oxathiolan-5-one, 2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-
CID 12016626
(2S)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)-1,3-oxathiolan-5-yl acetate
CID 15659033
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
TBDPS(-3)[TBDPS(-5)]4-thio-D-Araf1Ac2F
CID 89975653
methyl (2R,4S)-4-acetylsulfanyl-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropentanoate
CID 91147412
[Tert-butyl(diphenyl)silyl]oxymethyl 2-(3-fluorothiolan-2-yl)acetate
CID 141390588
TBDPS(-3)[TBDPS(-5)]4-thio-Penf1Ac2F
CID 173582580
(2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)-1,3-oxathiolan-5-yl acetate
CID 10454605

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate?
The IUPAC name of [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate (CID 15126098) is [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate.
What is the SMILES notation for [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate?
The canonical SMILES for [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate is CC(=O)OC1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.
What is the InChIKey of [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate?
The InChIKey is XTOYTTNREVGAJY-YDNXMHBPSA-N. The full InChI is InChI=1S/C23H30O3SSi/c1-18(24)26-22-16-15-19(27-22)17-25-28(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-17H2,1-4H3/t19-,22?/m0/s1.
What are the key properties of [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate?
[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate has a molecular weight of 414.64 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl] acetate is sourced from PubChem (CID 15126098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).