[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane

C25H35NOSi — CID 71484917

IUPAC[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NOSi/c1-25(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-24-18-12-20-26-19-11-10-17-23(24)26/h4-9,13-16,23-24H,10-12,17-20H2,1-3H3/t23-,24+/m1/s1
InChIKeySUIHVWSGTOXLMS-RPWUZVMVSA-N
MW393.65 g/mol
LogP4.58
Rot. Bonds4

About [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane

[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 71484917) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane
PubChem CID71484917
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Name[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NOSi/c1-25(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-24-18-12-20-26-19-11-10-17-23(24)26/h4-9,13-16,23-24H,10-12,17-20H2,1-3H3/t23-,24+/m1/s1
InChIKeySUIHVWSGTOXLMS-RPWUZVMVSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 54.58
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 [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane (CID 71484917) is [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1CCCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is SUIHVWSGTOXLMS-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-25(2,3)28(21-13-6-4-7-14-21,22-15-8-5-9-16-22)27-24-18-12-20-26-19-11-10-17-23(24)26/h4-9,13-16,23-24H,10-12,17-20H2,1-3H3/t23-,24+/m1/s1.
What are the key properties of [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane?
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 393.65 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 71484917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).