tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane

C31H43NOSi — CID 134843764

About tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane

tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane (PubChem CID 134843764) has the molecular formula C31H43NOSi and a molecular weight of 473.78 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane
• PubChem CID: 134843764
• Molecular Formula: C31H43NOSi
• Molecular Weight: 473.78 g/mol
• Exact Mass: 473.31
• IUPAC Name: tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane
• SMILES: C=C(C)/C(C)=C/C=C/N1CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C31H43NOSi/c1-25(2)26(3)17-15-23-32-24-16-22-29(32)31(27-18-11-9-12-19-27,28-20-13-10-14-21-28)33-34(7,8)30(4,5)6/h9-15,17-21,23,29H,1,16,22,24H2,2-8H3/b23-15+,26-17+/t29-/m0/s1
• InChIKey: MUOVWKUPBCZXCZ-HLHNSDHYSA-N
• XLogP: 8.45
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.78
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane (CID 134843764) is tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane is C=C(C)/C(C)=C/C=C/N1CCC[C@H]1C(O[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane?

The InChIKey is MUOVWKUPBCZXCZ-HLHNSDHYSA-N. The full InChI is InChI=1S/C31H43NOSi/c1-25(2)26(3)17-15-23-32-24-16-22-29(32)31(27-18-11-9-12-19-27,28-20-13-10-14-21-28)33-34(7,8)30(4,5)6/h9-15,17-21,23,29H,1,16,22,24H2,2-8H3/b23-15+,26-17+/t29-/m0/s1.

What are the key properties of tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane?

tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane has a molecular weight of 473.78 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S)-1-[(1E,3E)-4,5-dimethylhexa-1,3,5-trienyl]pyrrolidin-2-yl]-diphenylmethoxy]-dimethylsilane is sourced from PubChem (CID 134843764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).