(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium

C24H42NO6+ — CID 86640937

IUPAC(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium
SMILESC=Cc1ccc(C[N+](CCOCCOC)(CCOCCOC)CCOCCOC)cc1
InChIInChI=1S/C24H42NO6/c1-5-23-6-8-24(9-7-23)22-25(10-13-29-19-16-26-2,11-14-30-20-17-27-3)12-15-31-21-18-28-4/h5-9H,1,10-22H2,2-4H3/q+1
InChIKeyXFQGTWCBXPUMIQ-UHFFFAOYSA-N
MW440.60 g/mol
LogP2.64
Rot. Bonds21

About (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium

(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium (PubChem CID 86640937) has the molecular formula C24H42NO6+ and a molecular weight of 440.60 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium
PubChem CID86640937
Molecular FormulaC24H42NO6+
Molecular Weight440.60 g/mol
Exact Mass440.30
IUPAC Name(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium
SMILESC=Cc1ccc(C[N+](CCOCCOC)(CCOCCOC)CCOCCOC)cc1
InChIInChI=1S/C24H42NO6/c1-5-23-6-8-24(9-7-23)22-25(10-13-29-19-16-26-2,11-14-30-20-17-27-3)12-15-31-21-18-28-4/h5-9H,1,10-22H2,2-4H3/q+1
InChIKeyXFQGTWCBXPUMIQ-UHFFFAOYSA-N
XLogP2.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
(4-ethenylphenyl)methyl-triethylazanium bromide
CID 11437971
tris(3-aminopropyl)-[(4-ethenylphenyl)methyl]azanium
CID 87628846
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
(4-ethenylphenyl)methyl-diethyl-octadecylazanium
CID 176773546
(3-amino-3-oxopropyl)-[(4-ethenylphenyl)methyl]-diethylazanium chloride
CID 18793272
tribenzyl-[2-[2-[2-(tribenzylazaniumyl)ethoxy]ethoxy]ethyl]azanium dibromide
CID 44889286
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
CID 155076269
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium?
The IUPAC name of (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium (CID 86640937) is (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium.
What is the SMILES notation for (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium?
The canonical SMILES for (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium is C=Cc1ccc(C[N+](CCOCCOC)(CCOCCOC)CCOCCOC)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium?
The InChIKey is XFQGTWCBXPUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42NO6/c1-5-23-6-8-24(9-7-23)22-25(10-13-29-19-16-26-2,11-14-30-20-17-27-3)12-15-31-21-18-28-4/h5-9H,1,10-22H2,2-4H3/q+1.
What are the key properties of (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium?
(4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium has a molecular weight of 440.60 g/mol, XLogP of 2.64, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl-tris[2-(2-methoxyethoxy)ethyl]azanium is sourced from PubChem (CID 86640937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).