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

C28H41NO5Si — CID 167524900

IUPAC2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-21(2)24(29-26(31)34-27(3,4)5)25(30)32-19-20-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,29,31)
InChIKeyGBYZTABXXSVYAY-UHFFFAOYSA-N
MW499.72 g/mol
LogP4.66
Rot. Bonds9

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

2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 167524900) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID167524900
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-21(2)24(29-26(31)34-27(3,4)5)25(30)32-19-20-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,29,31)
InChIKeyGBYZTABXXSVYAY-UHFFFAOYSA-N
XLogP4.66
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 167524900) is 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is GBYZTABXXSVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-21(2)24(29-26(31)34-27(3,4)5)25(30)32-19-20-33-35(28(6,7)8,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,21,24H,19-20H2,1-8H3,(H,29,31).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 499.72 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxyethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 167524900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).