methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol

C28H36O8S — CID 71346038

IUPACmethanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
SMILESCS(=O)(=O)O.OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O5.CH4O3S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-5(2,3)4/h1-15,28H,16-23H2;1H3,(H,2,3,4)
InChIKeyXTWYJMJSZWBZEX-UHFFFAOYSA-N
MW532.66 g/mol
LogP3.54
Rot. Bonds15

About methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol

methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 71346038) has the molecular formula C28H36O8S and a molecular weight of 532.66 g/mol. Its IUPAC name is methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Namemethanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID71346038
Molecular FormulaC28H36O8S
Molecular Weight532.66 g/mol
Exact Mass532.21
IUPAC Namemethanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
SMILESCS(=O)(=O)O.OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O5.CH4O3S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-5(2,3)4/h1-15,28H,16-23H2;1H3,(H,2,3,4)
InChIKeyXTWYJMJSZWBZEX-UHFFFAOYSA-N
XLogP3.54
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.66
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol (CID 71346038) is methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol is CS(=O)(=O)O.OCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is XTWYJMJSZWBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O5.CH4O3S/c28-16-17-29-18-19-30-20-21-31-22-23-32-27(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-5(2,3)4/h1-15,28H,16-23H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol?
methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 532.66 g/mol, XLogP of 3.54, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 71346038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).