tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane

C29H46O2S2Si2 — CID 11049892

IUPACtert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C29H46O2S2Si2/c1-28(2,3)34(7,8)31-24(22-27-32-20-15-21-33-27)23-30-35(29(4,5)6,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h9-14,16-19,24,27H,15,20-23H2,1-8H3/t24-/m0/s1
InChIKeyJBNYQCJYTOHZFC-DEOSSOPVSA-N
MW546.99 g/mol
LogP7.54
Rot. Bonds9

About tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane

tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane (PubChem CID 11049892) has the molecular formula C29H46O2S2Si2 and a molecular weight of 546.99 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane
PubChem CID11049892
Molecular FormulaC29H46O2S2Si2
Molecular Weight546.99 g/mol
Exact Mass546.25
IUPAC Nametert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C29H46O2S2Si2/c1-28(2,3)34(7,8)31-24(22-27-32-20-15-21-33-27)23-30-35(29(4,5)6,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h9-14,16-19,24,27H,15,20-23H2,1-8H3/t24-/m0/s1
InChIKeyJBNYQCJYTOHZFC-DEOSSOPVSA-N
XLogP7.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.99
LogP ≤ 57.54
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

(E)-1-(t-BUTYLDIPHENYLSILYLOXY)-7-(1,3-DITHIA-2-CYCLOHEXYL)-6-FLUORO-5-HEPTENE
CID 18652647
tert-butyl-[(Z)-7-(1,3-dithian-2-yl)-6-fluorohept-5-enoxy]-diphenylsilane
CID 19752496
1-(t-Butyldiphenylsilyloxy)-7-(1,3-dithia-2-cyclohexyl)-6-fluoro-5-heptene
CID 53748011
1-(t-Butyldiphenylsilyoxy)-7-(1,3-dithia-2-cyclohexyl)-5-fluoro-5-heptene
CID 54411416
tert-butyl-[(E)-7-(1,3-dithian-2-yl)-5-fluorohept-5-enoxy]-diphenylsilane
CID 139774219
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
CID 10982624
Tert-butyl-[2-(2-methyl-1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11004259
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
tert-butyl-diphenyl-[[(2S)-5-(trimethylsilylmethyl)-2,3-dihydrothiophen-2-yl]methoxy]silane
CID 15191439

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane (CID 11049892) is tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane is CC(C)(C)[Si](C)(C)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1.
What is the InChIKey of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The InChIKey is JBNYQCJYTOHZFC-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H46O2S2Si2/c1-28(2,3)34(7,8)31-24(22-27-32-20-15-21-33-27)23-30-35(29(4,5)6,25-16-11-9-12-17-25)26-18-13-10-14-19-26/h9-14,16-19,24,27H,15,20-23H2,1-8H3/t24-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane has a molecular weight of 546.99 g/mol, XLogP of 7.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)propoxy]-diphenylsilane is sourced from PubChem (CID 11049892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).