2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

C22H38O10S — CID 118796291

IUPAC2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C22H38O10S/c1-33(23,24)32-20-19-30-16-15-28-12-11-26-8-7-25-9-10-27-13-14-29-17-18-31-21-22-5-3-2-4-6-22/h2-6H,7-21H2,1H3
InChIKeyJZHQTKNPHOVOEO-UHFFFAOYSA-N
MW494.60 g/mol
LogP1.28
Rot. Bonds24

About 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (PubChem CID 118796291) has the molecular formula C22H38O10S and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
PubChem CID118796291
Molecular FormulaC22H38O10S
Molecular Weight494.60 g/mol
Exact Mass494.22
IUPAC Name2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C22H38O10S/c1-33(23,24)32-20-19-30-16-15-28-12-11-26-8-7-25-9-10-27-13-14-29-17-18-31-21-22-5-3-2-4-6-22/h2-6H,7-21H2,1H3
InChIKeyJZHQTKNPHOVOEO-UHFFFAOYSA-N
XLogP1.28
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 162089156
2-[2-(5-phenylmethoxypentoxy)ethoxy]ethyl methanesulfonate
CID 151732579
2-[2-[2-[(4-methylphenyl)methoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 118048156
2-(pyridin-4-ylmethoxy)ethyl methanesulfonate
CID 89158313
2-(2-phenylmethoxyethoxy)ethyl phenylmethanesulfonate
CID 71344720
(2-oxo-6-phenylmethoxyhexyl) methanesulfonate
CID 135042335
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
benzyl methanesulfonate;formaldehyde
CID 175233269
[(3R)-3-(methylsulfonyloxymethyl)-4-phenylmethoxybutyl] methanesulfonate
CID 10690263
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-[2-[N-[2-(2-methylsulfonyloxyethoxy)ethyl]anilino]ethoxy]ethyl methanesulfonate
CID 89334381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate (CID 118796291) is 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
The InChIKey is JZHQTKNPHOVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O10S/c1-33(23,24)32-20-19-30-16-15-28-12-11-26-8-7-25-9-10-27-13-14-29-17-18-31-21-22-5-3-2-4-6-22/h2-6H,7-21H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate?
2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate has a molecular weight of 494.60 g/mol, XLogP of 1.28, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate is sourced from PubChem (CID 118796291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).