N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide

C23H43NO4Si — CID 89395615

About N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide

N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide (PubChem CID 89395615) has the molecular formula C23H43NO4Si and a molecular weight of 425.69 g/mol. Its IUPAC name is N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide.

Molecular Properties

• Compound Name: N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide
• PubChem CID: 89395615
• Molecular Formula: C23H43NO4Si
• Molecular Weight: 425.69 g/mol
• Exact Mass: 425.30
• IUPAC Name: N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide
• SMILES: C=CCCNC(=O)COC/C(C)=C\[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)OC
• InChI: InChI=1S/C23H43NO4Si/c1-11-13-14-24-21(25)17-27-16-18(3)15-19(4)22(20(12-2)26-8)28-29(9,10)23(5,6)7/h11-12,15,19-20,22H,1-2,13-14,16-17H2,3-10H3,(H,24,25)/b18-15-/t19-,20+,22+/m1/s1
• InChIKey: ZRYPIYGQSKHPJV-AZRNUABQSA-N
• XLogP: 4.87
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.69
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide?

The IUPAC name of N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide (CID 89395615) is N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide.

What is the SMILES notation for N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide?

The canonical SMILES for N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide is C=CCCNC(=O)COC/C(C)=C\[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)OC.

What is the InChIKey of N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide?

The InChIKey is ZRYPIYGQSKHPJV-AZRNUABQSA-N. The full InChI is InChI=1S/C23H43NO4Si/c1-11-13-14-24-21(25)17-27-16-18(3)15-19(4)22(20(12-2)26-8)28-29(9,10)23(5,6)7/h11-12,15,19-20,22H,1-2,13-14,16-17H2,3-10H3,(H,24,25)/b18-15-/t19-,20+,22+/m1/s1.

What are the key properties of N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide?

N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide has a molecular weight of 425.69 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide is sourced from PubChem (CID 89395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).