[(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane

C30H41NOSi — CID 101482420

About [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane

[(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 101482420) has the molecular formula C30H41NOSi and a molecular weight of 459.75 g/mol. Its IUPAC name is [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane
• PubChem CID: 101482420
• Molecular Formula: C30H41NOSi
• Molecular Weight: 459.75 g/mol
• Exact Mass: 459.30
• IUPAC Name: [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane
• SMILES: CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC=CCN12)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H41NOSi/c1-29(2,3)33(27-17-6-4-7-18-27,28-19-8-5-9-20-28)32-24-25-14-12-21-30(25)22-13-16-26-15-10-11-23-31(26)30/h4-11,17-20,25-26H,12-16,21-24H2,1-3H3/t25-,26+,30+/m1/s1
• InChIKey: WUCZUDLOPMMMAI-YIIWZEITSA-N
• XLogP: 5.92
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.75
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane?

The IUPAC name of [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane (CID 101482420) is [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane.

What is the SMILES notation for [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane?

The canonical SMILES for [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1CCC[C@]12CCC[C@@H]1CC=CCN12)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane?

The InChIKey is WUCZUDLOPMMMAI-YIIWZEITSA-N. The full InChI is InChI=1S/C30H41NOSi/c1-29(2,3)33(27-17-6-4-7-18-27,28-19-8-5-9-20-28)32-24-25-14-12-21-30(25)22-13-16-26-15-10-11-23-31(26)30/h4-11,17-20,25-26H,12-16,21-24H2,1-3H3/t25-,26+,30+/m1/s1.

What are the key properties of [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane?

[(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 459.75 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101482420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).