potassium butyl hydrogen phosphate

C4H10KO4P — CID 23672342

IUPACpotassium butyl hydrogen 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/p-1
InChIKeyXAACWXXRFIOVSG-UHFFFAOYSA-M
MW192.19 g/mol
LogP-2.73
Rot. Bonds4

About potassium butyl hydrogen phosphate

potassium butyl hydrogen phosphate (PubChem CID 23672342) has the molecular formula C4H10KO4P and a molecular weight of 192.19 g/mol. Its IUPAC name is potassium butyl hydrogen phosphate.

Molecular Properties

Compound Namepotassium butyl hydrogen phosphate
PubChem CID23672342
Molecular FormulaC4H10KO4P
Molecular Weight192.19 g/mol
Exact Mass192.00
IUPAC Namepotassium butyl hydrogen 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/p-1
InChIKeyXAACWXXRFIOVSG-UHFFFAOYSA-M
XLogP-2.73
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-2.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tributyl Phosphate
CID 31357
Diethyl phosphate
CID 654
Dibutyl phosphate
CID 7881
Phosphoric acid, monopropyl ester
CID 74188
Diisopropyl phosphate
CID 74162
Monobutyl phosphate
CID 15389
Phosphoric acid, monopentyl ester
CID 61572
Phosphoric acid, monobutyl ester, sodium salt (1:2)
CID 163035
Dipropyl phosphate
CID 74544
Phosphoric acid, butyl ester, potassium salt
CID 23668616
Phosphonic acid, monobutyl ester
CID 6327918
Phosphoric acid, butyl diethyl ester
CID 75956

Frequently Asked Questions

What is the IUPAC name of potassium butyl hydrogen phosphate?
The IUPAC name of potassium butyl hydrogen phosphate (CID 23672342) is potassium butyl hydrogen phosphate.
What is the SMILES notation for potassium butyl hydrogen phosphate?
The canonical SMILES for potassium butyl hydrogen phosphate is CCCCOP(=O)([O-])O.[K+].
What is the InChIKey of potassium butyl hydrogen phosphate?
The InChIKey is XAACWXXRFIOVSG-UHFFFAOYSA-M. 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/p-1.
What are the key properties of potassium butyl hydrogen phosphate?
potassium butyl hydrogen phosphate has a molecular weight of 192.19 g/mol, XLogP of -2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butyl hydrogen phosphate is sourced from PubChem (CID 23672342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).