[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane

C21H35NO2Si — CID 11256980

IUPAC[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN2CCCC[C@H]2[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19-15-22-14-10-9-13-18(22)20(19)23-16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,9-10,13-16H2,1-5H3/t18-,19+,20-/m0/s1
InChIKeyOTZFDVRLBAAUSK-ZCNNSNEGSA-N
MW361.60 g/mol
LogP4.83
Rot. Bonds5

About [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane

[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11256980) has the molecular formula C21H35NO2Si and a molecular weight of 361.60 g/mol. Its IUPAC name is [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11256980
Molecular FormulaC21H35NO2Si
Molecular Weight361.60 g/mol
Exact Mass361.24
IUPAC Name[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CN2CCCC[C@H]2[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19-15-22-14-10-9-13-18(22)20(19)23-16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,9-10,13-16H2,1-5H3/t18-,19+,20-/m0/s1
InChIKeyOTZFDVRLBAAUSK-ZCNNSNEGSA-N
XLogP4.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane (CID 11256980) is [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CN2CCCC[C@H]2[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is OTZFDVRLBAAUSK-ZCNNSNEGSA-N. The full InChI is InChI=1S/C21H35NO2Si/c1-21(2,3)25(4,5)24-19-15-22-14-10-9-13-18(22)20(19)23-16-17-11-7-6-8-12-17/h6-8,11-12,18-20H,9-10,13-16H2,1-5H3/t18-,19+,20-/m0/s1.
What are the key properties of [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane?
[(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 361.60 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,8aS)-1-phenylmethoxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11256980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).