[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane

C25H35NOSi — CID 102297276

IUPAC[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NOSi/c1-25(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-21-17-19-26-18-11-10-16-24(21)26/h4-9,12-15,21,24H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1
InChIKeyNSUGNNGIFAFSBY-ZJSXRUAMSA-N
MW393.65 g/mol
LogP4.44
Rot. Bonds5

About [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane

[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 102297276) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID102297276
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Name[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NOSi/c1-25(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-21-17-19-26-18-11-10-16-24(21)26/h4-9,12-15,21,24H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1
InChIKeyNSUGNNGIFAFSBY-ZJSXRUAMSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 54.44
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

tert-butyl-[(2-fluoro-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methoxy]-diphenylsilane
CID 177913623
[(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-2-yl]methoxy-tert-butyl-diphenylsilane
CID 134864911
[(6E,7R,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane
CID 134999458
[(6E,7S,8aS)-6-benzylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-7-yl]oxy-triethylsilane
CID 135000107
[(1S)-1-[(2R,3aS)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10950198
Tert-butyl-[3-(1-tert-butyl-2-methylpyrrolidin-2-yl)propoxy]-diphenylsilane
CID 173924070
[(E)-4-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 11510637
[(Z)-4-[(5S,8R,8aS)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 57338309
7-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73292836
(4aS,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73293002
[(E)-4-[(5S,8R,8aS)-8-ethyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]but-3-enoxy]-tert-butyl-diphenylsilane
CID 101384940
[(1'S,4S,9aR)-spiro[1,2,3,6,9,9a-hexahydroquinolizine-4,2'-cyclopentane]-1'-yl]methoxy-tert-butyl-diphenylsilane
CID 101482420

Frequently Asked Questions

What is the IUPAC name of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane (CID 102297276) is [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1CCN2CCCC[C@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is NSUGNNGIFAFSBY-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-25(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-21-17-19-26-18-11-10-16-24(21)26/h4-9,12-15,21,24H,10-11,16-20H2,1-3H3/t21-,24-/m1/s1.
What are the key properties of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane?
[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 393.65 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 102297276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).