bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium

C20H42NO5+ — CID 57281107

IUPACbis[2-(2-ethylhexoxy)ethoxy]-oxoazanium
SMILESCCCCC(CC)COCCO[N+](=O)OCCOCC(CC)CCCC
InChIInChI=1S/C20H42NO5/c1-5-9-11-19(7-3)17-23-13-15-25-21(22)26-16-14-24-18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3/q+1
InChIKeyJODPGKNVBQVKDN-UHFFFAOYSA-N
MW376.56 g/mol
LogP5.09
Rot. Bonds20

About bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium

bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium (PubChem CID 57281107) has the molecular formula C20H42NO5+ and a molecular weight of 376.56 g/mol. Its IUPAC name is bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium.

Molecular Properties

Compound Namebis[2-(2-ethylhexoxy)ethoxy]-oxoazanium
PubChem CID57281107
Molecular FormulaC20H42NO5+
Molecular Weight376.56 g/mol
Exact Mass376.31
IUPAC Namebis[2-(2-ethylhexoxy)ethoxy]-oxoazanium
SMILESCCCCC(CC)COCCO[N+](=O)OCCOCC(CC)CCCC
InChIInChI=1S/C20H42NO5/c1-5-9-11-19(7-3)17-23-13-15-25-21(22)26-16-14-24-18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3/q+1
InChIKeyJODPGKNVBQVKDN-UHFFFAOYSA-N
XLogP5.09
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749603

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium?
The IUPAC name of bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium (CID 57281107) is bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium.
What is the SMILES notation for bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium?
The canonical SMILES for bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium is CCCCC(CC)COCCO[N+](=O)OCCOCC(CC)CCCC.
What is the InChIKey of bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium?
The InChIKey is JODPGKNVBQVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42NO5/c1-5-9-11-19(7-3)17-23-13-15-25-21(22)26-16-14-24-18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3/q+1.
What are the key properties of bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium?
bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium has a molecular weight of 376.56 g/mol, XLogP of 5.09, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium is sourced from PubChem (CID 57281107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).