bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium

C20H40N2O3P+ — CID 88718680

IUPACbis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium
SMILESCCCCC(CC)C/N=C/CO[P+](=O)OC/C=N/CC(CC)CCCC
InChIInChI=1S/C20H40N2O3P/c1-5-9-11-19(7-3)17-21-13-15-24-26(23)25-16-14-22-18-20(8-4)12-10-6-2/h13-14,19-20H,5-12,15-18H2,1-4H3/q+1/b21-13+,22-14+
InChIKeyDXMZQLMEJZHCHT-JFMUQQRKSA-N
MW387.53 g/mol
LogP6.25
Rot. Bonds18

About bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium

bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium (PubChem CID 88718680) has the molecular formula C20H40N2O3P+ and a molecular weight of 387.53 g/mol. Its IUPAC name is bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium
PubChem CID88718680
Molecular FormulaC20H40N2O3P+
Molecular Weight387.53 g/mol
Exact Mass387.28
IUPAC Namebis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium
SMILESCCCCC(CC)C/N=C/CO[P+](=O)OC/C=N/CC(CC)CCCC
InChIInChI=1S/C20H40N2O3P/c1-5-9-11-19(7-3)17-21-13-15-24-26(23)25-16-14-22-18-20(8-4)12-10-6-2/h13-14,19-20H,5-12,15-18H2,1-4H3/q+1/b21-13+,22-14+
InChIKeyDXMZQLMEJZHCHT-JFMUQQRKSA-N
XLogP6.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
CID 175740347
3-ethylheptaneperoxoic acid
CID 54542102
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
CID 161169213
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
CID 92541995
bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
CID 23131996
(3R)-3-(isothiocyanatomethyl)heptane
CID 7131100

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium?
The IUPAC name of bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium (CID 88718680) is bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium.
What is the SMILES notation for bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium?
The canonical SMILES for bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium is CCCCC(CC)C/N=C/CO[P+](=O)OC/C=N/CC(CC)CCCC.
What is the InChIKey of bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium?
The InChIKey is DXMZQLMEJZHCHT-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H40N2O3P/c1-5-9-11-19(7-3)17-21-13-15-24-26(23)25-16-14-22-18-20(8-4)12-10-6-2/h13-14,19-20H,5-12,15-18H2,1-4H3/q+1/b21-13+,22-14+.
What are the key properties of bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium?
bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium has a molecular weight of 387.53 g/mol, XLogP of 6.25, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium is sourced from PubChem (CID 88718680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).