[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane

C35H55NO2Si2 — CID 11767016

IUPAC[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO2Si2/c1-28(24-29-25-35(8,32-22-17-23-36(32)26-29)38-39(9,10)33(2,3)4)27-37-40(34(5,6)7,30-18-13-11-14-19-30)31-20-15-12-16-21-31/h11-16,18-21,24,28,32H,17,22-23,25-27H2,1-10H3/b29-24-/t28-,32-,35-/m0/s1
InChIKeyOTZQASJXBOTZJX-WWXOVPRPSA-N
MW578.00 g/mol
LogP7.77
Rot. Bonds8

About [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane

[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane (PubChem CID 11767016) has the molecular formula C35H55NO2Si2 and a molecular weight of 578.00 g/mol. Its IUPAC name is [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane
PubChem CID11767016
Molecular FormulaC35H55NO2Si2
Molecular Weight578.00 g/mol
Exact Mass577.38
IUPAC Name[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H55NO2Si2/c1-28(24-29-25-35(8,32-22-17-23-36(32)26-29)38-39(9,10)33(2,3)4)27-37-40(34(5,6)7,30-18-13-11-14-19-30)31-20-15-12-16-21-31/h11-16,18-21,24,28,32H,17,22-23,25-27H2,1-10H3/b29-24-/t28-,32-,35-/m0/s1
InChIKeyOTZQASJXBOTZJX-WWXOVPRPSA-N
XLogP7.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.00
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(6Z,8S,8aS)-6-[(E,2R,6S)-2,5-dimethyl-6-phenylmethoxyoct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-yl]oxy-tert-butyl-dimethylsilane
CID 11113957
(6Z,8S,8aS)-6-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 10895879
tert-butyl-[(E)-6-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-methylhex-4-enoxy]-diphenylsilane
CID 101584149
CID 10768282
CID 10768282
[(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
(3aR,9aR,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356411
(3aR,9aS,9bR)-2,2-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,9,9a,9b-octahydro-3H-oxasilolo[4,5-g]indolizine
CID 101356413
[(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
CID 136748388
CID 136748388
CID 136748389
CID 136748389

Frequently Asked Questions

What is the IUPAC name of [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane (CID 11767016) is [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane is C[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O[Si](C)(C)C(C)(C)C)C1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane?
The InChIKey is OTZQASJXBOTZJX-WWXOVPRPSA-N. The full InChI is InChI=1S/C35H55NO2Si2/c1-28(24-29-25-35(8,32-22-17-23-36(32)26-29)38-39(9,10)33(2,3)4)27-37-40(34(5,6)7,30-18-13-11-14-19-30)31-20-15-12-16-21-31/h11-16,18-21,24,28,32H,17,22-23,25-27H2,1-10H3/b29-24-/t28-,32-,35-/m0/s1.
What are the key properties of [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane?
[(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane has a molecular weight of 578.00 g/mol, XLogP of 7.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3Z)-3-[(8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-2-methylpropoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11767016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).