phosphoric acid;tributyl(methyl)phosphanium

C13H33O4P2+ — CID 166680840

IUPACphosphoric acid;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C13H30P.H3O4P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h5-13H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyURKHPCHRURHQST-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.11
Rot. Bonds9

About phosphoric acid;tributyl(methyl)phosphanium

phosphoric acid;tributyl(methyl)phosphanium (PubChem CID 166680840) has the molecular formula C13H33O4P2+ and a molecular weight of 315.35 g/mol. Its IUPAC name is phosphoric acid;tributyl(methyl)phosphanium.

Molecular Properties

Compound Namephosphoric acid;tributyl(methyl)phosphanium
PubChem CID166680840
Molecular FormulaC13H33O4P2+
Molecular Weight315.35 g/mol
Exact Mass315.18
IUPAC Namephosphoric acid;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.O=P(O)(O)O
InChIInChI=1S/C13H30P.H3O4P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h5-13H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyURKHPCHRURHQST-UHFFFAOYSA-N
XLogP4.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tributyl(methyl)phosphanium
CID 2760115
tributyl(methyl)phosphanium iodide
CID 2760114
hexan-2-amine;phosphoric acid;propane
CID 175129773
dimethyl hydrogen phosphate;methyl(trioctyl)phosphanium
CID 129073670
triheptyl(methyl)phosphanium
CID 87447401
trihexadecyl(methyl)phosphanium
CID 22750516
5-chlorononane;phosphoric acid
CID 88768187
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
sulfuric acid;trihexyl(methyl)phosphanium
CID 118386562
ethyl(methyl)phosphinate;trihexyl(methyl)phosphanium
CID 90317907
dibutyl-ethyl-methylphosphanium
CID 58444360
dodecane;phosphoric acid
CID 88801558

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;tributyl(methyl)phosphanium?
The IUPAC name of phosphoric acid;tributyl(methyl)phosphanium (CID 166680840) is phosphoric acid;tributyl(methyl)phosphanium.
What is the SMILES notation for phosphoric acid;tributyl(methyl)phosphanium?
The canonical SMILES for phosphoric acid;tributyl(methyl)phosphanium is CCCC[P+](C)(CCCC)CCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;tributyl(methyl)phosphanium?
The InChIKey is URKHPCHRURHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.H3O4P/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h5-13H2,1-4H3;(H3,1,2,3,4)/q+1;.
What are the key properties of phosphoric acid;tributyl(methyl)phosphanium?
phosphoric acid;tributyl(methyl)phosphanium has a molecular weight of 315.35 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;tributyl(methyl)phosphanium is sourced from PubChem (CID 166680840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).