ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C28H41NO5Si — CID 175392713

IUPACethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C28H41NO5Si/c1-10-32-24(30)28(21(2)3,29-25(31)33-26(4,5)6)34-35(27(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21H,10H2,1-9H3,(H,29,31)
InChIKeyUVMCIZRTNCLLAO-UHFFFAOYSA-N
MW499.72 g/mol
LogP5.00
Rot. Bonds8

About ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 175392713) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID175392713
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Nameethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCCOC(=O)C(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C28H41NO5Si/c1-10-32-24(30)28(21(2)3,29-25(31)33-26(4,5)6)34-35(27(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21H,10H2,1-9H3,(H,29,31)
InChIKeyUVMCIZRTNCLLAO-UHFFFAOYSA-N
XLogP5.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.72
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 175392713) is ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CCOC(=O)C(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is UVMCIZRTNCLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-10-32-24(30)28(21(2)3,29-25(31)33-26(4,5)6)34-35(27(7,8)9,22-17-13-11-14-18-22)23-19-15-12-16-20-23/h11-21H,10H2,1-9H3,(H,29,31).
What are the key properties of ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 499.72 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(diphenyl)silyl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 175392713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).