tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane

C26H45NO9Si — CID 169175784

About tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane

tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane (PubChem CID 169175784) has the molecular formula C26H45NO9Si and a molecular weight of 543.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
• PubChem CID: 169175784
• Molecular Formula: C26H45NO9Si
• Molecular Weight: 543.73 g/mol
• Exact Mass: 543.29
• IUPAC Name: tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCCOCCOc1ccccc1/C=C/[N+](=O)[O-]
• InChI: InChI=1S/C26H45NO9Si/c1-26(2,3)37(4,5)36-23-21-34-19-17-32-15-13-30-12-14-31-16-18-33-20-22-35-25-9-7-6-8-24(25)10-11-27(28)29/h6-11H,12-23H2,1-5H3/b11-10+
• InChIKey: RFYVSXZFXRSOQC-ZHACJKMWSA-N
• XLogP: 4.42
• TPSA: 107.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.73
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane (CID 169175784) is tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane is CC(C)(C)[Si](C)(C)OCCOCCOCCOCCOCCOCCOc1ccccc1/C=C/[N+](=O)[O-].

What is the InChIKey of tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?

The InChIKey is RFYVSXZFXRSOQC-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H45NO9Si/c1-26(2,3)37(4,5)36-23-21-34-19-17-32-15-13-30-12-14-31-16-18-33-20-22-35-25-9-7-6-8-24(25)10-11-27(28)29/h6-11H,12-23H2,1-5H3/b11-10+.

What are the key properties of tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane?

tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane has a molecular weight of 543.73 g/mol, XLogP of 4.42, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane is sourced from PubChem (CID 169175784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).