2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate

C42H79NO22 — CID 139525550

IUPAC2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COC(=O)N1C(=O)CCC1=O)OCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C42H79NO22/c1-47-5-7-49-9-11-51-13-15-53-17-19-55-21-22-57-25-26-59-29-30-61-33-34-63-37-39(38-65-42(46)43-40(44)3-4-41(43)45)64-36-35-62-32-31-60-28-27-58-24-23-56-20-18-54-16-14-52-12-10-50-8-6-48-2/h39H,3-38H2,1-2H3
InChIKeyOQDRLKXIHLQDCE-UHFFFAOYSA-N
MW950.08 g/mol
LogP0.20
Rot. Bonds53

About 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate

2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate (PubChem CID 139525550) has the molecular formula C42H79NO22 and a molecular weight of 950.08 g/mol. Its IUPAC name is 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate
PubChem CID139525550
Molecular FormulaC42H79NO22
Molecular Weight950.08 g/mol
Exact Mass949.51
IUPAC Name2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCC(COC(=O)N1C(=O)CCC1=O)OCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C42H79NO22/c1-47-5-7-49-9-11-51-13-15-53-17-19-55-21-22-57-25-26-59-29-30-61-33-34-63-37-39(38-65-42(46)43-40(44)3-4-41(43)45)64-36-35-62-32-31-60-28-27-58-24-23-56-20-18-54-16-14-52-12-10-50-8-6-48-2/h39H,3-38H2,1-2H3
InChIKeyOQDRLKXIHLQDCE-UHFFFAOYSA-N
XLogP0.20
TPSA229.82 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds53
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.08
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 118907319
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570
[3-propoxy-2-(2-propoxyethoxy)propyl] acetate
CID 162455221
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
2-[2-(2-acetyloxyethoxy)-3-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]propoxy]ethyl acetate
CID 59854102
2-[2-(2-acetyloxyethoxy)-3-[2,3-bis(2-acetyloxyethoxy)propoxy]propoxy]ethyl acetate
CID 159300101
[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 170658360
2-[2,3-bis[2-(2-hydroxypropanoyloxy)ethoxy]propoxy]ethyl 2-hydroxypropanoate
CID 164738437
[2-[2-(2-butoxyethoxy)ethoxy]-4-methoxybutyl] hydrogen carbonate
CID 139923197
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate?
The IUPAC name of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate (CID 139525550) is 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate?
The canonical SMILES for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate is COCCOCCOCCOCCOCCOCCOCCOCCOCC(COC(=O)N1C(=O)CCC1=O)OCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate?
The InChIKey is OQDRLKXIHLQDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H79NO22/c1-47-5-7-49-9-11-51-13-15-53-17-19-55-21-22-57-25-26-59-29-30-61-33-34-63-37-39(38-65-42(46)43-40(44)3-4-41(43)45)64-36-35-62-32-31-60-28-27-58-24-23-56-20-18-54-16-14-52-12-10-50-8-6-48-2/h39H,3-38H2,1-2H3.
What are the key properties of 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate?
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate has a molecular weight of 950.08 g/mol, XLogP of 0.20, 53 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl 2,5-dioxopyrrolidine-1-carboxylate is sourced from PubChem (CID 139525550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).