tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane

C25H36OS2Si — CID 24755802

IUPACtert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C25H36OS2Si/c1-21(20-24-27-18-11-19-28-24)16-17-26-29(25(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21,24H,11,16-20H2,1-4H3/t21-/m1/s1
InChIKeyHGMHIIAPHWUILB-OAQYLSRUSA-N
MW444.78 g/mol
LogP6.18
Rot. Bonds8

About tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane

tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane (PubChem CID 24755802) has the molecular formula C25H36OS2Si and a molecular weight of 444.78 g/mol. Its IUPAC name is tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane
PubChem CID24755802
Molecular FormulaC25H36OS2Si
Molecular Weight444.78 g/mol
Exact Mass444.20
IUPAC Nametert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1
InChIInChI=1S/C25H36OS2Si/c1-21(20-24-27-18-11-19-28-24)16-17-26-29(25(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21,24H,11,16-20H2,1-4H3/t21-/m1/s1
InChIKeyHGMHIIAPHWUILB-OAQYLSRUSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.78
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
(3-Buten-1-yl) [2-(2-methyl-1-propyl)-1,3-dithian-2-yl]diphenylsilane
CID 22287058
(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-[(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane (CID 24755802) is tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane is C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC1SCCCS1.
What is the InChIKey of tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane?
The InChIKey is HGMHIIAPHWUILB-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H36OS2Si/c1-21(20-24-27-18-11-19-28-24)16-17-26-29(25(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21,24H,11,16-20H2,1-4H3/t21-/m1/s1.
What are the key properties of tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane?
tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane has a molecular weight of 444.78 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-4-(1,3-dithian-2-yl)-3-methylbutoxy]-diphenylsilane is sourced from PubChem (CID 24755802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).