N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide

C26H55NO4Si2 — CID 123542524

About N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide

N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide (PubChem CID 123542524) has the molecular formula C26H55NO4Si2 and a molecular weight of 501.90 g/mol. Its IUPAC name is N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide
• PubChem CID: 123542524
• Molecular Formula: C26H55NO4Si2
• Molecular Weight: 501.90 g/mol
• Exact Mass: 501.37
• IUPAC Name: N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide
• SMILES: C=CC(=O)NCC(O)COCCCC(C)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CCCC
• InChI: InChI=1S/C26H55NO4Si2/c1-11-16-20-32(7,8)26(14-4,15-5)31-33(9,10)25(6,13-3)18-17-19-30-22-23(28)21-27-24(29)12-2/h12,23,28H,2,11,13-22H2,1,3-10H3,(H,27,29)
• InChIKey: ZOYADUYVZKBXNZ-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.90
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide?

The IUPAC name of N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide (CID 123542524) is N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide.

What is the SMILES notation for N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide?

The canonical SMILES for N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide is C=CC(=O)NCC(O)COCCCC(C)(CC)[Si](C)(C)OC(CC)(CC)[Si](C)(C)CCCC.

What is the InChIKey of N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide?

The InChIKey is ZOYADUYVZKBXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO4Si2/c1-11-16-20-32(7,8)26(14-4,15-5)31-33(9,10)25(6,13-3)18-17-19-30-22-23(28)21-27-24(29)12-2/h12,23,28H,2,11,13-22H2,1,3-10H3,(H,27,29).

What are the key properties of N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide?

N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide has a molecular weight of 501.90 g/mol, XLogP of 6.44, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide is sourced from PubChem (CID 123542524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).