[(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane

C20H41NOSi2 — CID 10499228

About [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane

[(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane (PubChem CID 10499228) has the molecular formula C20H41NOSi2 and a molecular weight of 367.73 g/mol. Its IUPAC name is [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane
• PubChem CID: 10499228
• Molecular Formula: C20H41NOSi2
• Molecular Weight: 367.73 g/mol
• Exact Mass: 367.27
• IUPAC Name: [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane
• SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@H]2CCCCN2C/C1=C\C[Si](C)(C)C
• InChI: InChI=1S/C20H41NOSi2/c1-7-24(8-2,9-3)22-20-16-19-12-10-11-14-21(19)17-18(20)13-15-23(4,5)6/h13,19-20H,7-12,14-17H2,1-6H3/b18-13+/t19-,20+/m0/s1
• InChIKey: ACYROLGLSJTPED-HHBVSCPVSA-N
• XLogP: 5.90
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.73
LogP ≤ 5	5.90
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 [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane?

The IUPAC name of [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane (CID 10499228) is [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane.

What is the SMILES notation for [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane?

The canonical SMILES for [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane is CC[Si](CC)(CC)O[C@@H]1C[C@@H]2CCCCN2C/C1=C\C[Si](C)(C)C.

What is the InChIKey of [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane?

The InChIKey is ACYROLGLSJTPED-HHBVSCPVSA-N. The full InChI is InChI=1S/C20H41NOSi2/c1-7-24(8-2,9-3)22-20-16-19-12-10-11-14-21(19)17-18(20)13-15-23(4,5)6/h13,19-20H,7-12,14-17H2,1-6H3/b18-13+/t19-,20+/m0/s1.

What are the key properties of [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane?

[(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane has a molecular weight of 367.73 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane is sourced from PubChem (CID 10499228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).