[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane

C18H35NOSi — CID 11483696

IUPAC[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=C[C@H]2CCCCN12
InChIInChI=1S/C18H35NOSi/c1-7-16-12-15(13-17-10-8-9-11-19(16)17)14-20-21(5,6)18(2,3)4/h13,16-17H,7-12,14H2,1-6H3/t16-,17+/m0/s1
InChIKeyDGPOYDANFVQTEA-DLBZAZTESA-N
MW309.57 g/mol
LogP4.97
Rot. Bonds4

About [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane

[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11483696) has the molecular formula C18H35NOSi and a molecular weight of 309.57 g/mol. Its IUPAC name is [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11483696
Molecular FormulaC18H35NOSi
Molecular Weight309.57 g/mol
Exact Mass309.25
IUPAC Name[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=C[C@H]2CCCCN12
InChIInChI=1S/C18H35NOSi/c1-7-16-12-15(13-17-10-8-9-11-19(16)17)14-20-21(5,6)18(2,3)4/h13,16-17H,7-12,14H2,1-6H3/t16-,17+/m0/s1
InChIKeyDGPOYDANFVQTEA-DLBZAZTESA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(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
(4S,9aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6,7,8,9,9a-hexahydro-3H-quinolizine-4-carbonitrile
CID 11185854
[(4R,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11289846
4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-ylmethoxy-tert-butyl-dimethylsilane
CID 11380507
[(4S,9aR)-4-pent-1-ynyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11428001
[(9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 101243050
Tert-butyl-dimethyl-[3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)propoxy]silane
CID 171974272

Frequently Asked Questions

What is the IUPAC name of [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11483696) is [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane is CC[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=C[C@H]2CCCCN12.
What is the InChIKey of [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DGPOYDANFVQTEA-DLBZAZTESA-N. The full InChI is InChI=1S/C18H35NOSi/c1-7-16-12-15(13-17-10-8-9-11-19(16)17)14-20-21(5,6)18(2,3)4/h13,16-17H,7-12,14H2,1-6H3/t16-,17+/m0/s1.
What are the key properties of [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 309.57 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,9aR)-4-ethyl-4,6,7,8,9,9a-hexahydro-3H-quinolizin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11483696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).