[(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane

C35H71NO2Si2 — CID 10793595

About [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane

[(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10793595) has the molecular formula C35H71NO2Si2 and a molecular weight of 594.13 g/mol. Its IUPAC name is [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 10793595
• Molecular Formula: C35H71NO2Si2
• Molecular Weight: 594.13 g/mol
• Exact Mass: 593.50
• IUPAC Name: [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane
• SMILES: CCCCCCC(C/C=C/[C@H]1CCC[C@H]2CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N21)O[Si](CC)(CC)CC
• InChI: InChI=1S/C35H71NO2Si2/c1-12-16-17-18-24-34(37-39(13-2,14-3)15-4)25-20-23-32-21-19-22-33-26-27-35(31(11)36(32)33)38-40(28(5)6,29(7)8)30(9)10/h20,23,28-35H,12-19,21-22,24-27H2,1-11H3/b23-20+/t31-,32+,33-,34?,35+/m0/s1
• InChIKey: FWNGSUQDQRILCM-LXRAZZSLSA-N
• XLogP: 11.26
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.13
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane (CID 10793595) is [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane is CCCCCCC(C/C=C/[C@H]1CCC[C@H]2CC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)N21)O[Si](CC)(CC)CC.

What is the InChIKey of [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is FWNGSUQDQRILCM-LXRAZZSLSA-N. The full InChI is InChI=1S/C35H71NO2Si2/c1-12-16-17-18-24-34(37-39(13-2,14-3)15-4)25-20-23-32-21-19-22-33-26-27-35(31(11)36(32)33)38-40(28(5)6,29(7)8)30(9)10/h20,23,28-35H,12-19,21-22,24-27H2,1-11H3/b23-20+/t31-,32+,33-,34?,35+/m0/s1.

What are the key properties of [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane?

[(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 594.13 g/mol, XLogP of 11.26, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,6R,9aS)-4-methyl-6-[(E)-4-triethylsilyloxydec-1-enyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10793595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).