(Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium

C30H49N5O8Si2 — CID 135484744

About (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium

(Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium (PubChem CID 135484744) has the molecular formula C30H49N5O8Si2 and a molecular weight of 663.92 g/mol. Its IUPAC name is (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium.

Molecular Properties

• Compound Name: (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium
• PubChem CID: 135484744
• Molecular Formula: C30H49N5O8Si2
• Molecular Weight: 663.92 g/mol
• Exact Mass: 663.31
• IUPAC Name: (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium
• SMILES: CCOC(=O)c1ccc(N/N=[N+](\[O-])CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C30H49N5O8Si2/c1-12-40-27(37)20-13-15-21(16-14-20)32-33-35(39)19-22-24(42-44(8,9)29(2,3)4)25(43-45(10,11)30(5,6)7)26(41-22)34-18-17-23(36)31-28(34)38/h13-18,22,24-26,32H,12,19H2,1-11H3,(H,31,36,38)/b35-33-
• InChIKey: HYWQGFGEWCAORZ-OAPYJULQSA-N
• XLogP: 5.38
• TPSA: 159.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.92
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium?

The IUPAC name of (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium (CID 135484744) is (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium.

What is the SMILES notation for (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium?

The canonical SMILES for (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium is CCOC(=O)c1ccc(N/N=[N+](\[O-])CC2OC(n3ccc(=O)[nH]c3=O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium?

The InChIKey is HYWQGFGEWCAORZ-OAPYJULQSA-N. The full InChI is InChI=1S/C30H49N5O8Si2/c1-12-40-27(37)20-13-15-21(16-14-20)32-33-35(39)19-22-24(42-44(8,9)29(2,3)4)25(43-45(10,11)30(5,6)7)26(41-22)34-18-17-23(36)31-28(34)38/h13-18,22,24-26,32H,12,19H2,1-11H3,(H,31,36,38)/b35-33-.

What are the key properties of (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium?

(Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium has a molecular weight of 663.92 g/mol, XLogP of 5.38, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-[(4-ethoxycarbonylphenyl)hydrazinylidene]-oxidoazanium is sourced from PubChem (CID 135484744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).