triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane

C28H46N2OSi2 — CID 11155933

About triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane

triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane (PubChem CID 11155933) has the molecular formula C28H46N2OSi2 and a molecular weight of 482.86 g/mol. Its IUPAC name is triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane.

Molecular Properties

• Compound Name: triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane
• PubChem CID: 11155933
• Molecular Formula: C28H46N2OSi2
• Molecular Weight: 482.86 g/mol
• Exact Mass: 482.31
• IUPAC Name: triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane
• SMILES: CC[Si](CC)(CC)CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O[Si](C)(C)C)c1ccnc2ccccc12
• InChI: InChI=1S/C28H46N2OSi2/c1-7-33(8-2,9-3)19-16-23-21-30-18-15-22(23)20-27(30)28(31-32(4,5)6)25-14-17-29-26-13-11-10-12-24(25)26/h10-14,17,22-23,27-28H,7-9,15-16,18-21H2,1-6H3/t22-,23-,27-,28+/m0/s1
• InChIKey: GPYCRCGUGZZROZ-PTRUDAKASA-N
• XLogP: 7.74
• TPSA: 25.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.86
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane?

The IUPAC name of triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane (CID 11155933) is triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane.

What is the SMILES notation for triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane?

The canonical SMILES for triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane is CC[Si](CC)(CC)CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O[Si](C)(C)C)c1ccnc2ccccc12.

What is the InChIKey of triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane?

The InChIKey is GPYCRCGUGZZROZ-PTRUDAKASA-N. The full InChI is InChI=1S/C28H46N2OSi2/c1-7-33(8-2,9-3)19-16-23-21-30-18-15-22(23)20-27(30)28(31-32(4,5)6)25-14-17-29-26-13-11-10-12-24(25)26/h10-14,17,22-23,27-28H,7-9,15-16,18-21H2,1-6H3/t22-,23-,27-,28+/m0/s1.

What are the key properties of triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane?

triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane has a molecular weight of 482.86 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[2-[(3R,4S,6S)-6-[(R)-quinolin-4-yl(trimethylsilyloxy)methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethyl]silane is sourced from PubChem (CID 11155933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).