bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate

C57H112O18 — CID 101102682

IUPACbis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(=O)OCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C57H112O18/c1-5-7-9-11-13-15-17-19-21-23-25-57(26-24-22-20-18-16-14-12-10-8-6-2,55(58)74-53-51-72-49-47-70-45-43-68-41-39-66-37-35-64-33-31-62-29-27-60-3)56(59)75-54-52-73-50-48-71-46-44-69-42-40-67-38-36-65-34-32-63-30-28-61-4/h5-54H2,1-4H3
InChIKeyHEGASCPHXHTXEG-UHFFFAOYSA-N
MW1085.50 g/mol
LogP9.17
Rot. Bonds66

About bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate

bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate (PubChem CID 101102682) has the molecular formula C57H112O18 and a molecular weight of 1085.50 g/mol. Its IUPAC name is bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate.

Molecular Properties

Compound Namebis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
PubChem CID101102682
Molecular FormulaC57H112O18
Molecular Weight1085.50 g/mol
Exact Mass1084.78
IUPAC Namebis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
SMILESCCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(=O)OCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C57H112O18/c1-5-7-9-11-13-15-17-19-21-23-25-57(26-24-22-20-18-16-14-12-10-8-6-2,55(58)74-53-51-72-49-47-70-45-43-68-41-39-66-37-35-64-33-31-62-29-27-60-3)56(59)75-54-52-73-50-48-71-46-44-69-42-40-67-38-36-65-34-32-63-30-28-61-4/h5-54H2,1-4H3
InChIKeyHEGASCPHXHTXEG-UHFFFAOYSA-N
XLogP9.17
TPSA181.82 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds66
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.50
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2-hexyl-2-methyloctanoate
CID 155411368
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
CID 141407378
tetraethyl pentadecane-4,4,10,10-tetracarboxylate
CID 134314067
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
9-(2-methoxyethoxymethyl)nonadecan-9-ol
CID 86033712
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
CID 101278893
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
undecyl 2-methyl-2-nonyltridecanoate
CID 175595362
decyl 2-methyl-2-pentyltetradecanoate
CID 175595411
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate?
The IUPAC name of bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate (CID 101102682) is bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate.
What is the SMILES notation for bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate?
The canonical SMILES for bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate is CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(=O)OCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate?
The InChIKey is HEGASCPHXHTXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H112O18/c1-5-7-9-11-13-15-17-19-21-23-25-57(26-24-22-20-18-16-14-12-10-8-6-2,55(58)74-53-51-72-49-47-70-45-43-68-41-39-66-37-35-64-33-31-62-29-27-60-3)56(59)75-54-52-73-50-48-71-46-44-69-42-40-67-38-36-65-34-32-63-30-28-61-4/h5-54H2,1-4H3.
What are the key properties of bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate?
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate has a molecular weight of 1085.50 g/mol, XLogP of 9.17, 66 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate is sourced from PubChem (CID 101102682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).