(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C27H37NO2Si — CID 11719050

IUPAC(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N2C(=O)CC[C@@H]12
InChIInChI=1S/C27H37NO2Si/c1-5-21-16-17-22(28-25(21)18-19-26(28)29)20-30-31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25H,5,16-20H2,1-4H3/t21-,22+,25+/m1/s1
InChIKeyAMAYKAHBCOSJKQ-SLSDLSHTSA-N
MW435.68 g/mol
LogP4.74
Rot. Bonds6

About (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11719050) has the molecular formula C27H37NO2Si and a molecular weight of 435.68 g/mol. Its IUPAC name is (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID11719050
Molecular FormulaC27H37NO2Si
Molecular Weight435.68 g/mol
Exact Mass435.26
IUPAC Name(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N2C(=O)CC[C@@H]12
InChIInChI=1S/C27H37NO2Si/c1-5-21-16-17-22(28-25(21)18-19-26(28)29)20-30-31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25H,5,16-20H2,1-4H3/t21-,22+,25+/m1/s1
InChIKeyAMAYKAHBCOSJKQ-SLSDLSHTSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.68
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

(3S,6S,8aS)-6-azido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11059395
dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
(6aS,10aR,10bR)-6a-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1,2,3,4,10a,10b-hexahydropyrido[1,2-b]isoindol-6-one;carbon monoxide;iron
CID 134982546
1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
CID 67964999
4-[4-[Tert-butyl(diphenyl)silyl]oxybutyl]pyrrolidin-2-one
CID 162383982
(1S,8aR)-1-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
CID 167627290
(1S,8aS)-1-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6,7,8a-hexahydroindolizine-5,8-dione
CID 167627291
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylic acid
CID 174166352
(3R)-3-[(3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]-4-[tert-butyl(diphenyl)silyl]oxybutanenitrile
CID 10504184
(2R,6S,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenyl-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10577331
(2R,6S,8S,8aR)-2-[tert-butyl(dimethyl)silyl]oxy-6-phenyl-8-phenylselanyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10601471
(3R)-3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-[tert-butyl(diphenyl)silyl]oxybutanenitrile
CID 10624359

Frequently Asked Questions

What is the IUPAC name of (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11719050) is (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N2C(=O)CC[C@@H]12.
What is the InChIKey of (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is AMAYKAHBCOSJKQ-SLSDLSHTSA-N. The full InChI is InChI=1S/C27H37NO2Si/c1-5-21-16-17-22(28-25(21)18-19-26(28)29)20-30-31(27(2,3)4,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,21-22,25H,5,16-20H2,1-4H3/t21-,22+,25+/m1/s1.
What are the key properties of (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 435.68 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R,8aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-8-ethyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11719050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).