methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C36H49NO5Si2 — CID 11714319

IUPACmethyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC=C([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C36H49NO5Si2/c1-28(43(9,10)29-20-14-11-15-21-29)32(37(26-33(38)40-8)34(39)42-35(2,3)4)27-41-44(36(5,6)7,30-22-16-12-17-23-30)31-24-18-13-19-25-31/h11-25,32H,1,26-27H2,2-10H3/t32-/m1/s1
InChIKeyNIBJQYFDAHZUEN-JGCGQSQUSA-N
MW631.96 g/mol
LogP6.05
Rot. Bonds11

About methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 11714319) has the molecular formula C36H49NO5Si2 and a molecular weight of 631.96 g/mol. Its IUPAC name is methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID11714319
Molecular FormulaC36H49NO5Si2
Molecular Weight631.96 g/mol
Exact Mass631.31
IUPAC Namemethyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESC=C([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C36H49NO5Si2/c1-28(43(9,10)29-20-14-11-15-21-29)32(37(26-33(38)40-8)34(39)42-35(2,3)4)27-41-44(36(5,6)7,30-22-16-12-17-23-30)31-24-18-13-19-25-31/h11-25,32H,1,26-27H2,2-10H3/t32-/m1/s1
InChIKeyNIBJQYFDAHZUEN-JGCGQSQUSA-N
XLogP6.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.96
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate with MolForge

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Related Compounds

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl (E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonyl-phenacylamino]pent-2-enoate
CID 11169377
tert-butyl N-benzyl-N-[(3R)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11575431
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
methyl (3S,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-iodohexanoate
CID 10816311
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 11714319) is methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is C=C([C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(CC(=O)OC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is NIBJQYFDAHZUEN-JGCGQSQUSA-N. The full InChI is InChI=1S/C36H49NO5Si2/c1-28(43(9,10)29-20-14-11-15-21-29)32(37(26-33(38)40-8)34(39)42-35(2,3)4)27-41-44(36(5,6)7,30-22-16-12-17-23-30)31-24-18-13-19-25-31/h11-25,32H,1,26-27H2,2-10H3/t32-/m1/s1.
What are the key properties of methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 631.96 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[dimethyl(phenyl)silyl]but-3-en-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 11714319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).