(Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

C27H37N2O5Si+ — CID 10907183

About (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium

(Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium (PubChem CID 10907183) has the molecular formula C27H37N2O5Si+ and a molecular weight of 497.69 g/mol. Its IUPAC name is (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium.

Molecular Properties

• Compound Name: (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
• PubChem CID: 10907183
• Molecular Formula: C27H37N2O5Si+
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.25
• IUPAC Name: (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium
• SMILES: CC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COC(=O)/C([N+]#N)=C(\O)OC
• InChI: InChI=1S/C27H36N2O5Si/c1-6-21(20-33-26(31)24(29-28)25(30)32-5)14-13-19-34-35(27(2,3)4,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,6,13-14,19-20H2,1-5H3/p+1/t21-/m0/s1
• InChIKey: XSORGDXTACOJQF-NRFANRHFSA-O
• XLogP: 5.14
• TPSA: 93.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.69
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?

The IUPAC name of (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium (CID 10907183) is (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium.

What is the SMILES notation for (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?

The canonical SMILES for (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium is CC[C@@H](CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COC(=O)/C([N+]#N)=C(\O)OC.

What is the InChIKey of (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?

The InChIKey is XSORGDXTACOJQF-NRFANRHFSA-O. The full InChI is InChI=1S/C27H36N2O5Si/c1-6-21(20-33-26(31)24(29-28)25(30)32-5)14-13-19-34-35(27(2,3)4,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,6,13-14,19-20H2,1-5H3/p+1/t21-/m0/s1.

What are the key properties of (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium?

(Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium has a molecular weight of 497.69 g/mol, XLogP of 5.14, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-[(2S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethylpentoxy]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium is sourced from PubChem (CID 10907183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).