dibutyl phosphate;tetraethylazanium

C16H38NO4P — CID 156853023

IUPACdibutyl phosphate;tetraethylazanium
SMILESCCCCOP(=O)([O-])OCCCC.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C8H19O4P/c1-5-9(6-2,7-3)8-4;1-3-5-7-11-13(9,10)12-8-6-4-2/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1
InChIKeyPCZUZLTYQYPLHN-UHFFFAOYSA-M
MW339.46 g/mol
LogP3.97
Rot. Bonds12

About dibutyl phosphate;tetraethylazanium

dibutyl phosphate;tetraethylazanium (PubChem CID 156853023) has the molecular formula C16H38NO4P and a molecular weight of 339.46 g/mol. Its IUPAC name is dibutyl phosphate;tetraethylazanium.

Molecular Properties

Compound Namedibutyl phosphate;tetraethylazanium
PubChem CID156853023
Molecular FormulaC16H38NO4P
Molecular Weight339.46 g/mol
Exact Mass339.25
IUPAC Namedibutyl phosphate;tetraethylazanium
SMILESCCCCOP(=O)([O-])OCCCC.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C8H19O4P/c1-5-9(6-2,7-3)8-4;1-3-5-7-11-13(9,10)12-8-6-4-2/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1
InChIKeyPCZUZLTYQYPLHN-UHFFFAOYSA-M
XLogP3.97
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze dibutyl phosphate;tetraethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium dibutyl phosphate
CID 21400580
butyl propyl phosphate;nickel
CID 88805143
dibutyl phosphate;tetramethylphosphanium
CID 87474476
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
azanium didecyl phosphate
CID 157179907
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
chromium(2+);dihexyl phosphate
CID 18626712
beryllium bis(dihexadecyl phosphate)
CID 102241208
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924

Frequently Asked Questions

What is the IUPAC name of dibutyl phosphate;tetraethylazanium?
The IUPAC name of dibutyl phosphate;tetraethylazanium (CID 156853023) is dibutyl phosphate;tetraethylazanium.
What is the SMILES notation for dibutyl phosphate;tetraethylazanium?
The canonical SMILES for dibutyl phosphate;tetraethylazanium is CCCCOP(=O)([O-])OCCCC.CC[N+](CC)(CC)CC.
What is the InChIKey of dibutyl phosphate;tetraethylazanium?
The InChIKey is PCZUZLTYQYPLHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C8H19O4P/c1-5-9(6-2,7-3)8-4;1-3-5-7-11-13(9,10)12-8-6-4-2/h5-8H2,1-4H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1.
What are the key properties of dibutyl phosphate;tetraethylazanium?
dibutyl phosphate;tetraethylazanium has a molecular weight of 339.46 g/mol, XLogP of 3.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl phosphate;tetraethylazanium is sourced from PubChem (CID 156853023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).