1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene

C20H26O6 — CID 25127628

IUPAC1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene
SMILESC#Cc1cc(OCCOCCOC)c(C#C)cc1OCCOCCOC
InChIInChI=1S/C20H26O6/c1-5-17-15-20(26-14-12-24-10-8-22-4)18(6-2)16-19(17)25-13-11-23-9-7-21-3/h1-2,15-16H,7-14H2,3-4H3
InChIKeyZSZLCKZZVMHUOX-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.73
Rot. Bonds14

About 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene

1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene (PubChem CID 25127628) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene
PubChem CID25127628
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene
SMILESC#Cc1cc(OCCOCCOC)c(C#C)cc1OCCOCCOC
InChIInChI=1S/C20H26O6/c1-5-17-15-20(26-14-12-24-10-8-22-4)18(6-2)16-19(17)25-13-11-23-9-7-21-3/h1-2,15-16H,7-14H2,3-4H3
InChIKeyZSZLCKZZVMHUOX-UHFFFAOYSA-N
XLogP1.73
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene (CID 25127628) is 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene is C#Cc1cc(OCCOCCOC)c(C#C)cc1OCCOCCOC.
What is the InChIKey of 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene?
The InChIKey is ZSZLCKZZVMHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-5-17-15-20(26-14-12-24-10-8-22-4)18(6-2)16-19(17)25-13-11-23-9-7-21-3/h1-2,15-16H,7-14H2,3-4H3.
What are the key properties of 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene?
1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene has a molecular weight of 362.42 g/mol, XLogP of 1.73, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethynyl-2,5-bis[2-(2-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 25127628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).