2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium

C11H26NO3P+2 — CID 174865096

IUPAC2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESCCCCCCO[P+](=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H26NO3P/c1-5-6-7-8-10-14-16(13)15-11-9-12(2,3)4/h5-11H2,1-4H3/q+2
InChIKeyAVCRYCNSMDOAJG-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.96
Rot. Bonds10

About 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium

2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium (PubChem CID 174865096) has the molecular formula C11H26NO3P+2 and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
PubChem CID174865096
Molecular FormulaC11H26NO3P+2
Molecular Weight251.31 g/mol
Exact Mass251.16
IUPAC Name2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
SMILESCCCCCCO[P+](=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H26NO3P/c1-5-6-7-8-10-14-16(13)15-11-9-12(2,3)4/h5-11H2,1-4H3/q+2
InChIKeyAVCRYCNSMDOAJG-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
ethoxy-oxo-pentoxyphosphanium
CID 86182061

Frequently Asked Questions

What is the IUPAC name of 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium (CID 174865096) is 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium is CCCCCCO[P+](=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
The InChIKey is AVCRYCNSMDOAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO3P/c1-5-6-7-8-10-14-16(13)15-11-9-12(2,3)4/h5-11H2,1-4H3/q+2.
What are the key properties of 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium?
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium has a molecular weight of 251.31 g/mol, XLogP of 2.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 174865096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).