dodecyl(triethyl)azanium;phosphoric acid

C18H43NO4P+ — CID 87142595

IUPACdodecyl(triethyl)azanium;phosphoric acid
SMILESCCCCCCCCCCCC[N+](CC)(CC)CC.O=P(O)(O)O
InChIInChI=1S/C18H40N.H3O4P/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;1-5(2,3)4/h5-18H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyFDUJYFRQGZDQDG-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.86
Rot. Bonds14

About dodecyl(triethyl)azanium;phosphoric acid

dodecyl(triethyl)azanium;phosphoric acid (PubChem CID 87142595) has the molecular formula C18H43NO4P+ and a molecular weight of 368.52 g/mol. Its IUPAC name is dodecyl(triethyl)azanium;phosphoric acid.

Molecular Properties

Compound Namedodecyl(triethyl)azanium;phosphoric acid
PubChem CID87142595
Molecular FormulaC18H43NO4P+
Molecular Weight368.52 g/mol
Exact Mass368.29
IUPAC Namedodecyl(triethyl)azanium;phosphoric acid
SMILESCCCCCCCCCCCC[N+](CC)(CC)CC.O=P(O)(O)O
InChIInChI=1S/C18H40N.H3O4P/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;1-5(2,3)4/h5-18H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyFDUJYFRQGZDQDG-UHFFFAOYSA-N
XLogP4.86
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

phosphoric acid;triethyl(pentyl)azanium
CID 87212013
triethyl(tetradecyl)azanium
CID 28911
phosphoric acid;tetrabutylazanium;hydrate
CID 170920427
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(tetracosyl)azanium bromide
CID 153322859
triethyl(icosyl)azanium chloride
CID 141198165
triethyl(tetradecyl)azanium iodide
CID 87777336
triethyl(tridecyl)azanium bromide
CID 14647396
docosyl(triethyl)azanium bromide
CID 71358281
docosyl(triethyl)azanium chloride
CID 42638705
triethyl(octyl)azanium hydroxide
CID 23496315

Frequently Asked Questions

What is the IUPAC name of dodecyl(triethyl)azanium;phosphoric acid?
The IUPAC name of dodecyl(triethyl)azanium;phosphoric acid (CID 87142595) is dodecyl(triethyl)azanium;phosphoric acid.
What is the SMILES notation for dodecyl(triethyl)azanium;phosphoric acid?
The canonical SMILES for dodecyl(triethyl)azanium;phosphoric acid is CCCCCCCCCCCC[N+](CC)(CC)CC.O=P(O)(O)O.
What is the InChIKey of dodecyl(triethyl)azanium;phosphoric acid?
The InChIKey is FDUJYFRQGZDQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N.H3O4P/c1-5-9-10-11-12-13-14-15-16-17-18-19(6-2,7-3)8-4;1-5(2,3)4/h5-18H2,1-4H3;(H3,1,2,3,4)/q+1;.
What are the key properties of dodecyl(triethyl)azanium;phosphoric acid?
dodecyl(triethyl)azanium;phosphoric acid has a molecular weight of 368.52 g/mol, XLogP of 4.86, 14 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(triethyl)azanium;phosphoric acid is sourced from PubChem (CID 87142595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).