bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine

C26H59NO12 — CID 87204076

IUPACbis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.COCCOCCOCCOCCOC.COCCOCCOCCOCCOC
InChIInChI=1S/2C10H22O5.C6H15NO2/c2*1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;1-8-5-3-7-4-6-9-2/h2*3-10H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZSCAGEIUDRUTRI-UHFFFAOYSA-N
MW577.75 g/mol
LogP0.53
Rot. Bonds30

About bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine

bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 87204076) has the molecular formula C26H59NO12 and a molecular weight of 577.75 g/mol. Its IUPAC name is bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Namebis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID87204076
Molecular FormulaC26H59NO12
Molecular Weight577.75 g/mol
Exact Mass577.40
IUPAC Namebis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCOC.COCCOCCOCCOCCOC.COCCOCCOCCOCCOC
InChIInChI=1S/2C10H22O5.C6H15NO2/c2*1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;1-8-5-3-7-4-6-9-2/h2*3-10H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZSCAGEIUDRUTRI-UHFFFAOYSA-N
XLogP0.53
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
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
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine (CID 87204076) is bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine is COCCNCCOC.COCCOCCOCCOCCOC.COCCOCCOCCOCCOC.
What is the InChIKey of bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is ZSCAGEIUDRUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22O5.C6H15NO2/c2*1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;1-8-5-3-7-4-6-9-2/h2*3-10H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine?
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 577.75 g/mol, XLogP of 0.53, 30 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 87204076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).