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

C19H39NOSi2 — CID 100937501

IUPAC[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2CCCCN2C/C1=C\[Si](C)(C)C
InChIInChI=1S/C19H39NOSi2/c1-7-23(8-2,9-3)21-19-14-18-12-10-11-13-20(18)15-17(19)16-22(4,5)6/h16,18-19H,7-15H2,1-6H3/b17-16+/t18-,19+/m0/s1
InChIKeyLKVVFPSCMNKVQH-YESYDRAFSA-N
MW353.70 g/mol
LogP5.44
Rot. Bonds6

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

[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane (PubChem CID 100937501) has the molecular formula C19H39NOSi2 and a molecular weight of 353.70 g/mol. Its IUPAC name is [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
PubChem CID100937501
Molecular FormulaC19H39NOSi2
Molecular Weight353.70 g/mol
Exact Mass353.26
IUPAC Name[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2CCCCN2C/C1=C\[Si](C)(C)C
InChIInChI=1S/C19H39NOSi2/c1-7-23(8-2,9-3)21-19-14-18-12-10-11-13-20(18)15-17(19)16-22(4,5)6/h16,18-19H,7-15H2,1-6H3/b17-16+/t18-,19+/m0/s1
InChIKeyLKVVFPSCMNKVQH-YESYDRAFSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.70
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 100937503
[(2S,9aS)-3-methylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 101066587
[(E)-[(2S,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 101066588
[(2R,3E,9aS)-3-heptylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 134999593
[(2S,3E,9aS)-3-heptylidene-1,2,4,6,7,8,9,9a-octahydroquinolizin-2-yl]oxy-triethylsilane
CID 135000102
[(2E)-2-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]ethyl]-trimethylsilane
CID 10499228
[(Z)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 177525299
[(Z)-[(2S,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane
CID 177543244

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane (CID 100937501) is [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane is CC[Si](CC)(CC)O[C@@H]1C[C@@H]2CCCCN2C/C1=C\[Si](C)(C)C.
What is the InChIKey of [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane?
The InChIKey is LKVVFPSCMNKVQH-YESYDRAFSA-N. The full InChI is InChI=1S/C19H39NOSi2/c1-7-23(8-2,9-3)21-19-14-18-12-10-11-13-20(18)15-17(19)16-22(4,5)6/h16,18-19H,7-15H2,1-6H3/b17-16+/t18-,19+/m0/s1.
What are the key properties of [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane?
[(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane has a molecular weight of 353.70 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R,9aS)-2-triethylsilyloxy-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ylidene]methyl]-trimethylsilane is sourced from PubChem (CID 100937501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).