4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene

C22H42O9 — CID 23133355

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene
SMILESC=C(CCOCCOCCOCCOC)OC(=C)CCOCCOCCOCCOC
InChIInChI=1S/C22H42O9/c1-21(5-7-25-13-15-29-19-17-27-11-9-23-3)31-22(2)6-8-26-14-16-30-20-18-28-12-10-24-4/h1-2,5-20H2,3-4H3
InChIKeyLYKOTRVDGHOYJA-UHFFFAOYSA-N
MW450.57 g/mol
LogP2.20
Rot. Bonds26

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene (PubChem CID 23133355) has the molecular formula C22H42O9 and a molecular weight of 450.57 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene
PubChem CID23133355
Molecular FormulaC22H42O9
Molecular Weight450.57 g/mol
Exact Mass450.28
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene
SMILESC=C(CCOCCOCCOCCOC)OC(=C)CCOCCOCCOCCOC
InChIInChI=1S/C22H42O9/c1-21(5-7-25-13-15-29-19-17-27-11-9-23-3)31-22(2)6-8-26-14-16-30-20-18-28-12-10-24-4/h1-2,5-20H2,3-4H3
InChIKeyLYKOTRVDGHOYJA-UHFFFAOYSA-N
XLogP2.20
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol
CID 87460591
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
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
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
CID 173303266
CID 173303266
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 172826348
CID 172826348

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene (CID 23133355) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene is C=C(CCOCCOCCOCCOC)OC(=C)CCOCCOCCOCCOC.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene?
The InChIKey is LYKOTRVDGHOYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O9/c1-21(5-7-25-13-15-29-19-17-27-11-9-23-3)31-22(2)6-8-26-14-16-30-20-18-28-12-10-24-4/h1-2,5-20H2,3-4H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene has a molecular weight of 450.57 g/mol, XLogP of 2.20, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-1-ene is sourced from PubChem (CID 23133355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).