5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one

C33H34O3S2Si — CID 19937744

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one
SMILESCC(C)(C)[Si](OCC1CC(Sc2ccccc2)(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3S2Si/c1-32(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)35-25-26-24-33(31(34)36-26,37-27-16-8-4-9-17-27)38-28-18-10-5-11-19-28/h4-23,26H,24-25H2,1-3H3
InChIKeyTVGYJHRLVNVKEP-UHFFFAOYSA-N
MW570.85 g/mol
LogP7.16
Rot. Bonds9

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one (PubChem CID 19937744) has the molecular formula C33H34O3S2Si and a molecular weight of 570.85 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one
PubChem CID19937744
Molecular FormulaC33H34O3S2Si
Molecular Weight570.85 g/mol
Exact Mass570.17
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one
SMILESCC(C)(C)[Si](OCC1CC(Sc2ccccc2)(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34O3S2Si/c1-32(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)35-25-26-24-33(31(34)36-26,37-27-16-8-4-9-17-27)38-28-18-10-5-11-19-28/h4-23,26H,24-25H2,1-3H3
InChIKeyTVGYJHRLVNVKEP-UHFFFAOYSA-N
XLogP7.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.85
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928054
(3R,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 10028719
(3S,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10481389
[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-yl] acetate
CID 11072175
[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 56628482
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylsulfanylthiolan-2-yl]methyl acetate
CID 153333208
(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-3-phenylsulfanyloxolan-2-one
CID 10983791
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928056
(4S,5S)-5-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-[tri(methylthio)methyl]tetrahydrofuran-2-one
CID 175677127

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one (CID 19937744) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one is CC(C)(C)[Si](OCC1CC(Sc2ccccc2)(Sc2ccccc2)C(=O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one?
The InChIKey is TVGYJHRLVNVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O3S2Si/c1-32(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)35-25-26-24-33(31(34)36-26,37-27-16-8-4-9-17-27)38-28-18-10-5-11-19-28/h4-23,26H,24-25H2,1-3H3.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one has a molecular weight of 570.85 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one is sourced from PubChem (CID 19937744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).