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

C23H32OS2Si — CID 10982624

IUPACtert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C23H32OS2Si/c1-19(22-25-16-11-17-26-22)18-24-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19,22H,11,16-18H2,1-4H3/t19-/m0/s1
InChIKeyOPOGVJXMJLMQFN-IBGZPJMESA-N
MW416.73 g/mol
LogP5.40
Rot. Bonds6

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

tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane (PubChem CID 10982624) has the molecular formula C23H32OS2Si and a molecular weight of 416.73 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
PubChem CID10982624
Molecular FormulaC23H32OS2Si
Molecular Weight416.73 g/mol
Exact Mass416.17
IUPAC Nametert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1SCCCS1
InChIInChI=1S/C23H32OS2Si/c1-19(22-25-16-11-17-26-22)18-24-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19,22H,11,16-18H2,1-4H3/t19-/m0/s1
InChIKeyOPOGVJXMJLMQFN-IBGZPJMESA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 55.40
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
3-[2-[Methyl(diphenyl)silyl]-1,3-dithian-2-yl]propanal
CID 9976577
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586
Tert-butyl-[2-(2-methyl-1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11004259
tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
CID 11501276
tert-butyl-[[(2S)-5-tert-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 11732356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane (CID 10982624) is tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1SCCCS1.
What is the InChIKey of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
The InChIKey is OPOGVJXMJLMQFN-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32OS2Si/c1-19(22-25-16-11-17-26-22)18-24-27(23(2,3)4,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,19,22H,11,16-18H2,1-4H3/t19-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane?
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane has a molecular weight of 416.73 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane is sourced from PubChem (CID 10982624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).