[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane

C21H33NOSi — CID 135000107

IUPAC[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@H]2CCCN2C/C1=C\c1ccccc1
InChIInChI=1S/C21H33NOSi/c1-4-24(5-2,6-3)23-21-16-20-13-10-14-22(20)17-19(21)15-18-11-8-7-9-12-18/h7-9,11-12,15,20-21H,4-6,10,13-14,16-17H2,1-3H3/b19-15+/t20-,21-/m0/s1
InChIKeyLYIKJARIFBZASF-HAEKXNGDSA-N
MW343.59 g/mol
LogP5.33
Rot. Bonds6

About [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane

[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane (PubChem CID 135000107) has the molecular formula C21H33NOSi and a molecular weight of 343.59 g/mol. Its IUPAC name is [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane
PubChem CID135000107
Molecular FormulaC21H33NOSi
Molecular Weight343.59 g/mol
Exact Mass343.23
IUPAC Name[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@H]2CCCN2C/C1=C\c1ccccc1
InChIInChI=1S/C21H33NOSi/c1-4-24(5-2,6-3)23-21-16-20-13-10-14-22(20)17-19(21)15-18-11-8-7-9-12-18/h7-9,11-12,15,20-21H,4-6,10,13-14,16-17H2,1-3H3/b19-15+/t20-,21-/m0/s1
InChIKeyLYIKJARIFBZASF-HAEKXNGDSA-N
XLogP5.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.59
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane?
The IUPAC name of [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane (CID 135000107) is [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane.
What is the SMILES notation for [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane?
The canonical SMILES for [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H]1C[C@@H]2CCCN2C/C1=C\c1ccccc1.
What is the InChIKey of [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane?
The InChIKey is LYIKJARIFBZASF-HAEKXNGDSA-N. The full InChI is InChI=1S/C21H33NOSi/c1-4-24(5-2,6-3)23-21-16-20-13-10-14-22(20)17-19(21)15-18-11-8-7-9-12-18/h7-9,11-12,15,20-21H,4-6,10,13-14,16-17H2,1-3H3/b19-15+/t20-,21-/m0/s1.
What are the key properties of [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane?
[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane has a molecular weight of 343.59 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane is sourced from PubChem (CID 135000107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).