phosphoric acid;triethyl(pentyl)azanium

C11H29NO4P+ — CID 87212013

IUPACphosphoric acid;triethyl(pentyl)azanium
SMILESCCCCC[N+](CC)(CC)CC.O=P(O)(O)O
InChIInChI=1S/C11H26N.H3O4P/c1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyUTNFMCSCHUXZDP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.12
Rot. Bonds7

About phosphoric acid;triethyl(pentyl)azanium

phosphoric acid;triethyl(pentyl)azanium (PubChem CID 87212013) has the molecular formula C11H29NO4P+ and a molecular weight of 270.33 g/mol. Its IUPAC name is phosphoric acid;triethyl(pentyl)azanium.

Molecular Properties

Compound Namephosphoric acid;triethyl(pentyl)azanium
PubChem CID87212013
Molecular FormulaC11H29NO4P+
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Namephosphoric acid;triethyl(pentyl)azanium
SMILESCCCCC[N+](CC)(CC)CC.O=P(O)(O)O
InChIInChI=1S/C11H26N.H3O4P/c1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyUTNFMCSCHUXZDP-UHFFFAOYSA-N
XLogP2.12
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.12
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

dodecyl(triethyl)azanium;phosphoric acid
CID 87142595
phosphoric acid;tetrabutylazanium;hydrate
CID 170920427
triethyl(tetradecyl)azanium
CID 28911
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(hexadecyl)azanium iodide
CID 18466277
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 phosphoric acid;triethyl(pentyl)azanium?
The IUPAC name of phosphoric acid;triethyl(pentyl)azanium (CID 87212013) is phosphoric acid;triethyl(pentyl)azanium.
What is the SMILES notation for phosphoric acid;triethyl(pentyl)azanium?
The canonical SMILES for phosphoric acid;triethyl(pentyl)azanium is CCCCC[N+](CC)(CC)CC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;triethyl(pentyl)azanium?
The InChIKey is UTNFMCSCHUXZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N.H3O4P/c1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h5-11H2,1-4H3;(H3,1,2,3,4)/q+1;.
What are the key properties of phosphoric acid;triethyl(pentyl)azanium?
phosphoric acid;triethyl(pentyl)azanium has a molecular weight of 270.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;triethyl(pentyl)azanium is sourced from PubChem (CID 87212013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).