potassium butyl dihydrogen phosphate

C4H11KO4P+ — CID 91996619

IUPACpotassium butyl dihydrogen phosphate
SMILESCCCCOP(=O)(O)O.[K+]
InChIInChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1
InChIKeyXAACWXXRFIOVSG-UHFFFAOYSA-N
MW193.20 g/mol
LogP-2.10
Rot. Bonds4

About potassium butyl dihydrogen phosphate

potassium butyl dihydrogen phosphate (PubChem CID 91996619) has the molecular formula C4H11KO4P+ and a molecular weight of 193.20 g/mol. Its IUPAC name is potassium butyl dihydrogen phosphate.

Molecular Properties

Compound Namepotassium butyl dihydrogen phosphate
PubChem CID91996619
Molecular FormulaC4H11KO4P+
Molecular Weight193.20 g/mol
Exact Mass193.00
IUPAC Namepotassium butyl dihydrogen phosphate
SMILESCCCCOP(=O)(O)O.[K+]
InChIInChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1
InChIKeyXAACWXXRFIOVSG-UHFFFAOYSA-N
XLogP-2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium butyl dihydrogen phosphate?
The IUPAC name of potassium butyl dihydrogen phosphate (CID 91996619) is potassium butyl dihydrogen phosphate.
What is the SMILES notation for potassium butyl dihydrogen phosphate?
The canonical SMILES for potassium butyl dihydrogen phosphate is CCCCOP(=O)(O)O.[K+].
What is the InChIKey of potassium butyl dihydrogen phosphate?
The InChIKey is XAACWXXRFIOVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1.
What are the key properties of potassium butyl dihydrogen phosphate?
potassium butyl dihydrogen phosphate has a molecular weight of 193.20 g/mol, XLogP of -2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butyl dihydrogen phosphate is sourced from PubChem (CID 91996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).