2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate

C55H66O12S — CID 165061448

About 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 165061448) has the molecular formula C55H66O12S and a molecular weight of 951.19 g/mol. Its IUPAC name is 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

• Compound Name: 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
• PubChem CID: 165061448
• Molecular Formula: C55H66O12S
• Molecular Weight: 951.19 g/mol
• Exact Mass: 950.43
• IUPAC Name: 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
• SMILES: CS(=O)(=O)OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H34O7S.C27H32O5/c1-36(29,30)35-24-22-33-20-18-31-17-19-32-21-23-34-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h2-16H,17-24H2,1H3;1-15,28H,16-23H2
• InChIKey: RGTSRTSCGNPJJV-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 137.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.19
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate?

The IUPAC name of 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate (CID 165061448) is 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate.

What is the SMILES notation for 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate?

The canonical SMILES for 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate?

The InChIKey is RGTSRTSCGNPJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O7S.C27H32O5/c1-36(29,30)35-24-22-33-20-18-31-17-19-32-21-23-34-28(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h2-16H,17-24H2,1H3;1-15,28H,16-23H2.

What are the key properties of 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate?

2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 951.19 g/mol, XLogP of 8.06, 32 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 165061448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).