1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane

C49H100O24 — CID 139243269

IUPAC1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane
SMILESCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOC)(COCCOCCOCCOCCOCCOC)COCCOCCOCCOCCOCCOC
InChIInChI=1S/C49H100O24/c1-50-5-9-54-13-17-58-21-25-62-29-33-66-37-41-70-45-49(46-71-42-38-67-34-30-63-26-22-59-18-14-55-10-6-51-2,47-72-43-39-68-35-31-64-27-23-60-19-15-56-11-7-52-3)48-73-44-40-69-36-32-65-28-24-61-20-16-57-12-8-53-4/h5-48H2,1-4H3
InChIKeyBFUSXTZAMAVSJN-UHFFFAOYSA-N
MW1073.31 g/mol
LogP0.89
Rot. Bonds68

About 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane

1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane (PubChem CID 139243269) has the molecular formula C49H100O24 and a molecular weight of 1073.31 g/mol. Its IUPAC name is 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane.

Molecular Properties

Compound Name1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane
PubChem CID139243269
Molecular FormulaC49H100O24
Molecular Weight1073.31 g/mol
Exact Mass1072.66
IUPAC Name1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane
SMILESCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOC)(COCCOCCOCCOCCOCCOC)COCCOCCOCCOCCOCCOC
InChIInChI=1S/C49H100O24/c1-50-5-9-54-13-17-58-21-25-62-29-33-66-37-41-70-45-49(46-71-42-38-67-34-30-63-26-22-59-18-14-55-10-6-51-2,47-72-43-39-68-35-31-64-27-23-60-19-15-56-11-7-52-3)48-73-44-40-69-36-32-65-28-24-61-20-16-57-12-8-53-4/h5-48H2,1-4H3
InChIKeyBFUSXTZAMAVSJN-UHFFFAOYSA-N
XLogP0.89
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds68
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane?
The IUPAC name of 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane (CID 139243269) is 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane.
What is the SMILES notation for 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane?
The canonical SMILES for 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane is COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOC)(COCCOCCOCCOCCOCCOC)COCCOCCOCCOCCOCCOC.
What is the InChIKey of 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane?
The InChIKey is BFUSXTZAMAVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H100O24/c1-50-5-9-54-13-17-58-21-25-62-29-33-66-37-41-70-45-49(46-71-42-38-67-34-30-63-26-22-59-18-14-55-10-6-51-2,47-72-43-39-68-35-31-64-27-23-60-19-15-56-11-7-52-3)48-73-44-40-69-36-32-65-28-24-61-20-16-57-12-8-53-4/h5-48H2,1-4H3.
What are the key properties of 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane?
1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane has a molecular weight of 1073.31 g/mol, XLogP of 0.89, 68 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]propane is sourced from PubChem (CID 139243269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).