Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane

C₂₅H₃₄OSSi — CID 15191434

About Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane

Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (PubChem CID 15191434) has the molecular formula C₂₅H₃₄OSSi and a molecular weight of 410.70 g/mol. Its IUPAC name is tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.

Molecular Properties

• Compound Name: Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
• PubChem CID: 15191434
• Molecular Formula: C₂₅H₃₄OSSi
• Molecular Weight: 410.70 g/mol
• Exact Mass: 410.21
• IUPAC Name: tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
• SMILES: CCCCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1
• InChI: InChI=1S/C25H34OSSi/c1-5-6-13-21-18-19-22(27-21)20-26-28(25(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-18,22H,5-6,13,19-20H2,1-4H3/t22-/m0/s1
• InChIKey: CWNQNISATTYFDZ-QFIPXVFZSA-N
• XLogP: 6.14
• TPSA: 9.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.70
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?

The IUPAC name of Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane (CID 15191434) is tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane.

What is the SMILES notation for Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?

The canonical SMILES for Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is CCCCC1=CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)S1.

What is the InChIKey of Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?

The InChIKey is CWNQNISATTYFDZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H34OSSi/c1-5-6-13-21-18-19-22(27-21)20-26-28(25(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-18,22H,5-6,13,19-20H2,1-4H3/t22-/m0/s1.

What are the key properties of Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane?

Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane has a molecular weight of 410.70 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-[[(2S)-5-butyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 15191434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15191434 — identifiers, structure, computed properties (public domain)

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