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

C26H37NO5Si — CID 175692889

IUPACmethyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCCC(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C26H37NO5Si/c1-9-26(22(28)30-8,27-23(29)31-24(2,3)4)32-33(25(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,9H2,1-8H3,(H,27,29)
InChIKeyPXODXNABKIBJLO-UHFFFAOYSA-N
MW471.67 g/mol
LogP4.37
Rot. Bonds7

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

methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 175692889) has the molecular formula C26H37NO5Si and a molecular weight of 471.67 g/mol. Its IUPAC name is methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID175692889
Molecular FormulaC26H37NO5Si
Molecular Weight471.67 g/mol
Exact Mass471.24
IUPAC Namemethyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCCC(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C26H37NO5Si/c1-9-26(22(28)30-8,27-23(29)31-24(2,3)4)32-33(25(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,9H2,1-8H3,(H,27,29)
InChIKeyPXODXNABKIBJLO-UHFFFAOYSA-N
XLogP4.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 54.37
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 methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 175692889) is methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is CCC(NC(=O)OC(C)(C)C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is PXODXNABKIBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO5Si/c1-9-26(22(28)30-8,27-23(29)31-24(2,3)4)32-33(25(5,6)7,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,9H2,1-8H3,(H,27,29).
What are the key properties of methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 471.67 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 175692889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).