tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane

C21H26OSSi — CID 11501276

IUPACtert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
SMILESC=C1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSSi/c1-17-16-23-20(17)15-22-24(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3/t20-/m1/s1
InChIKeyWFRLEMUXCBNLBY-HXUWFJFHSA-N
MW354.59 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane (PubChem CID 11501276) has the molecular formula C21H26OSSi and a molecular weight of 354.59 g/mol. Its IUPAC name is tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
PubChem CID11501276
Molecular FormulaC21H26OSSi
Molecular Weight354.59 g/mol
Exact Mass354.15
IUPAC Nametert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane
SMILESC=C1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26OSSi/c1-17-16-23-20(17)15-22-24(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3/t20-/m1/s1
InChIKeyWFRLEMUXCBNLBY-HXUWFJFHSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

t-Butyl-(3-methylbut-3-enyloxy)diphenylsilane
CID 605219
Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
Tert-butyl-(3-methylpent-3-enoxy)-diphenylsilane
CID 157688954
Silane, diphenylethoxy(3-methylbut-3-en-1-yloxy)-
CID 91736236
Silane, diphenyl(3-methylbut-3-en-1-yloxy)propoxy-
CID 91737770
Silane, diphenylbutoxy(3-methylbut-3-en-1-yloxy)-
CID 91738920
Silane, diphenyldi(3-methylbut-3-en-1-yloxy)-
CID 91739871
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
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11610429
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)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane (CID 11501276) is tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane is C=C1CS[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane?
The InChIKey is WFRLEMUXCBNLBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26OSSi/c1-17-16-23-20(17)15-22-24(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,1,15-16H2,2-4H3/t20-/m1/s1.
What are the key properties of tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane has a molecular weight of 354.59 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-3-methylidenethietan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11501276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).