[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium

C37H70O15 — CID 101406634

IUPAC[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium
SMILESCOCCOCCOCCOCCOCCOCCOC/C=C\CC(/[C-]=[O+]/C)C/C=C\COCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C37H70O15/c1-38-12-14-43-20-22-47-28-30-51-34-32-49-26-24-45-18-16-41-10-6-4-8-37(36-40-3)9-5-7-11-42-17-19-46-25-27-50-33-35-52-31-29-48-23-21-44-15-13-39-2/h4-7,37H,8-35H2,1-3H3/b6-4-,7-5-
InChIKeyYYEUDECNWKLLLD-PEPZGXQESA-N
MW754.95 g/mol
LogP2.26
Rot. Bonds45

About [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium

[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium (PubChem CID 101406634) has the molecular formula C37H70O15 and a molecular weight of 754.95 g/mol. Its IUPAC name is [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium.

Molecular Properties

Compound Name[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium
PubChem CID101406634
Molecular FormulaC37H70O15
Molecular Weight754.95 g/mol
Exact Mass754.47
IUPAC Name[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium
SMILESCOCCOCCOCCOCCOCCOCCOC/C=C\CC(/[C-]=[O+]/C)C/C=C\COCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C37H70O15/c1-38-12-14-43-20-22-47-28-30-51-34-32-49-26-24-45-18-16-41-10-6-4-8-37(36-40-3)9-5-7-11-42-17-19-46-25-27-50-33-35-52-31-29-48-23-21-44-15-13-39-2/h4-7,37H,8-35H2,1-3H3/b6-4-,7-5-
InChIKeyYYEUDECNWKLLLD-PEPZGXQESA-N
XLogP2.26
TPSA140.52 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds45
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.95
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)but-2-en-1-amine
CID 77110475
CID 172826348
CID 172826348
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[2-(2-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
(6E)-8-(2-methoxyethoxy)octa-1,6-diene
CID 11344418
(2E,4Z,6Z)-1-(2-methoxyethoxy)octa-2,4,6-triene
CID 88966150

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium?
The IUPAC name of [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium (CID 101406634) is [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium.
What is the SMILES notation for [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium?
The canonical SMILES for [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium is COCCOCCOCCOCCOCCOCCOC/C=C\CC(/[C-]=[O+]/C)C/C=C\COCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium?
The InChIKey is YYEUDECNWKLLLD-PEPZGXQESA-N. The full InChI is InChI=1S/C37H70O15/c1-38-12-14-43-20-22-47-28-30-51-34-32-49-26-24-45-18-16-41-10-6-4-8-37(36-40-3)9-5-7-11-42-17-19-46-25-27-50-33-35-52-31-29-48-23-21-44-15-13-39-2/h4-7,37H,8-35H2,1-3H3/b6-4-,7-5-.
What are the key properties of [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium?
[(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium has a molecular weight of 754.95 g/mol, XLogP of 2.26, 45 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[(Z)-4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-2-enyl]hex-4-enylidene]-methyloxidanium is sourced from PubChem (CID 101406634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).