[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C33H36O2S2Si — CID 56628482

IUPAC[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC(Sc2ccccc2)(Sc2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36O2S2Si/c1-32(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)35-25-27-24-33(26-34-27,36-28-16-8-4-9-17-28)37-29-18-10-5-11-19-29/h4-23,27H,24-26H2,1-3H3/t27-/m0/s1
InChIKeyUJEIKDUESCGTHN-MHZLTWQESA-N
MW556.87 g/mol
LogP7.63
Rot. Bonds9

About [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 56628482) has the molecular formula C33H36O2S2Si and a molecular weight of 556.87 g/mol. Its IUPAC name is [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID56628482
Molecular FormulaC33H36O2S2Si
Molecular Weight556.87 g/mol
Exact Mass556.19
IUPAC Name[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC(Sc2ccccc2)(Sc2ccccc2)CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36O2S2Si/c1-32(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)35-25-27-24-33(26-34-27,36-28-16-8-4-9-17-28)37-29-18-10-5-11-19-29/h4-23,27H,24-26H2,1-3H3/t27-/m0/s1
InChIKeyUJEIKDUESCGTHN-MHZLTWQESA-N
XLogP7.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.87
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-yl] acetate
CID 11072175
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-one
CID 19937744
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(phenylsulfanyl)oxolan-2-ol
CID 53981221
tert-butyl-[[(2S)-5-(1-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy]-diphenylsilane
CID 54274074
CID 57693497
CID 57693497
tert-butyl-[[(2S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
CID 70795385
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 139640160
tert-butyl-[[(2S,5S)-5-methyl-4-phenylsulfanyloxolan-2-yl]methyl]-diphenylsilane
CID 140536386
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylsulfanylthiolan-2-yl]methyl acetate
CID 153333208
tert-butyl-diphenyl-[[(2S,5S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 10906453
tert-butyl-diphenyl-[[(2R,5S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 15673536
tert-butyl-diphenyl-[[(2R,5R)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
CID 15673537

Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 56628482) is [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CC(Sc2ccccc2)(Sc2ccccc2)CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is UJEIKDUESCGTHN-MHZLTWQESA-N. The full InChI is InChI=1S/C33H36O2S2Si/c1-32(2,3)38(30-20-12-6-13-21-30,31-22-14-7-15-23-31)35-25-27-24-33(26-34-27,36-28-16-8-4-9-17-28)37-29-18-10-5-11-19-29/h4-23,27H,24-26H2,1-3H3/t27-/m0/s1.
What are the key properties of [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 556.87 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-bis(phenylsulfanyl)oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 56628482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).