2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane

C21H44O9 — CID 23374676

IUPAC2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane
SMILESCOCCOCCOCCOCC(COC(C)(C)C)OCCOCCOCCOC
InChIInChI=1S/C21H44O9/c1-21(2,3)30-19-20(29-17-16-27-13-11-25-9-7-23-5)18-28-15-14-26-12-10-24-8-6-22-4/h20H,6-19H2,1-5H3
InChIKeyFUVSJTVKDLOKPS-UHFFFAOYSA-N
MW440.57 g/mol
LogP1.56
Rot. Bonds23

About 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane

2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane (PubChem CID 23374676) has the molecular formula C21H44O9 and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane.

Molecular Properties

Compound Name2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane
PubChem CID23374676
Molecular FormulaC21H44O9
Molecular Weight440.57 g/mol
Exact Mass440.30
IUPAC Name2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane
SMILESCOCCOCCOCCOCC(COC(C)(C)C)OCCOCCOCCOC
InChIInChI=1S/C21H44O9/c1-21(2,3)30-19-20(29-17-16-27-13-11-25-9-7-23-5)18-28-15-14-26-12-10-24-8-6-22-4/h20H,6-19H2,1-5H3
InChIKeyFUVSJTVKDLOKPS-UHFFFAOYSA-N
XLogP1.56
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane?
The IUPAC name of 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane (CID 23374676) is 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane.
What is the SMILES notation for 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane?
The canonical SMILES for 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane is COCCOCCOCCOCC(COC(C)(C)C)OCCOCCOCCOC.
What is the InChIKey of 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane?
The InChIKey is FUVSJTVKDLOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O9/c1-21(2,3)30-19-20(29-17-16-27-13-11-25-9-7-23-5)18-28-15-14-26-12-10-24-8-6-22-4/h20H,6-19H2,1-5H3.
What are the key properties of 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane?
2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane has a molecular weight of 440.57 g/mol, XLogP of 1.56, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propoxy]-2-methylpropane is sourced from PubChem (CID 23374676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).