1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene

C16H26O6 — CID 23275964

IUPAC1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C16H26O6/c1-17-7-9-19-11-13-21-15-3-5-16(6-4-15)22-14-12-20-10-8-18-2/h3-6H,7-14H2,1-2H3
InChIKeyYLNSIJURMHMOGZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.77
Rot. Bonds14

About 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene

1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene (PubChem CID 23275964) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene
PubChem CID23275964
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene
SMILESCOCCOCCOc1ccc(OCCOCCOC)cc1
InChIInChI=1S/C16H26O6/c1-17-7-9-19-11-13-21-15-3-5-16(6-4-15)22-14-12-20-10-8-18-2/h3-6H,7-14H2,1-2H3
InChIKeyYLNSIJURMHMOGZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene (CID 23275964) is 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene is COCCOCCOc1ccc(OCCOCCOC)cc1.
What is the InChIKey of 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The InChIKey is YLNSIJURMHMOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-17-7-9-19-11-13-21-15-3-5-16(6-4-15)22-14-12-20-10-8-18-2/h3-6H,7-14H2,1-2H3.
What are the key properties of 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene?
1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene has a molecular weight of 314.38 g/mol, XLogP of 1.77, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(2-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 23275964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).