methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate

C34H47NO5Si — CID 11585040

IUPACmethyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
SMILESC=C[C@@H]1C[C@@H](CCC)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1/C=C/C(=O)OCC
InChIInChI=1S/C34H47NO5Si/c1-8-17-27-24-26(9-2)30(22-23-32(36)39-10-3)35(33(37)38-7)31(27)25-40-41(34(4,5)6,28-18-13-11-14-19-28)29-20-15-12-16-21-29/h9,11-16,18-23,26-27,30-31H,2,8,10,17,24-25H2,1,3-7H3/b23-22+/t26-,27-,30+,31-/m1/s1
InChIKeyYCHJIYOLJILOQZ-UHNRLLPFSA-N
MW577.84 g/mol
LogP6.11
Rot. Bonds11

About methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate

methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate (PubChem CID 11585040) has the molecular formula C34H47NO5Si and a molecular weight of 577.84 g/mol. Its IUPAC name is methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
PubChem CID11585040
Molecular FormulaC34H47NO5Si
Molecular Weight577.84 g/mol
Exact Mass577.32
IUPAC Namemethyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
SMILESC=C[C@@H]1C[C@@H](CCC)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1/C=C/C(=O)OCC
InChIInChI=1S/C34H47NO5Si/c1-8-17-27-24-26(9-2)30(22-23-32(36)39-10-3)35(33(37)38-7)31(27)25-40-41(34(4,5)6,28-18-13-11-14-19-28)29-20-15-12-16-21-29/h9,11-16,18-23,26-27,30-31H,2,8,10,17,24-25H2,1,3-7H3/b23-22+/t26-,27-,30+,31-/m1/s1
InChIKeyYCHJIYOLJILOQZ-UHNRLLPFSA-N
XLogP6.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.84
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate with MolForge

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Related Compounds

ethyl (E)-4-[(4R,5S,7R)-4-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-6-(2,2,2-trifluoroacetyl)-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoate
CID 17753508
dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11656404
tert-butyl (2S)-2-[(6R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate
CID 25104817
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
CID 134865127
ethyl (Z)-4-[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-(2,2,2-trifluoroacetyl)-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoate
CID 11227592
ethyl (E)-4-[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-(2,2,2-trifluoroacetyl)-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoate
CID 11585516
ethyl (E)-4-[(4R,5R,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-(2,2,2-trifluoroacetyl)-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoate
CID 101346089
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethoxycarbonyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 123696121
tert-butyl (1S,3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(Z)-3-methoxy-3-oxoprop-1-enyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10907599
tert-butyl (1R,3R,5S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(Z)-3-methoxy-3-oxoprop-1-enyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10918522
tert-butyl (1S,3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10984334

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate (CID 11585040) is methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate is C=C[C@@H]1C[C@@H](CCC)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1/C=C/C(=O)OCC.
What is the InChIKey of methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate?
The InChIKey is YCHJIYOLJILOQZ-UHNRLLPFSA-N. The full InChI is InChI=1S/C34H47NO5Si/c1-8-17-27-24-26(9-2)30(22-23-32(36)39-10-3)35(33(37)38-7)31(27)25-40-41(34(4,5)6,28-18-13-11-14-19-28)29-20-15-12-16-21-29/h9,11-16,18-23,26-27,30-31H,2,8,10,17,24-25H2,1,3-7H3/b23-22+/t26-,27-,30+,31-/m1/s1.
What are the key properties of methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate?
methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate has a molecular weight of 577.84 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate is sourced from PubChem (CID 11585040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).