potassium dibutyl phosphate

C8H18KO4P — CID 23672341

IUPACpotassium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[K+]
InChIInChI=1S/C8H19O4P.K/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyDAIJJJOANAXVGC-UHFFFAOYSA-M
MW248.30 g/mol
LogP-0.91
Rot. Bonds8

About potassium dibutyl phosphate

potassium dibutyl phosphate (PubChem CID 23672341) has the molecular formula C8H18KO4P and a molecular weight of 248.30 g/mol. Its IUPAC name is potassium dibutyl phosphate.

Molecular Properties

Compound Namepotassium dibutyl phosphate
PubChem CID23672341
Molecular FormulaC8H18KO4P
Molecular Weight248.30 g/mol
Exact Mass248.06
IUPAC Namepotassium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[K+]
InChIInChI=1S/C8H19O4P.K/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyDAIJJJOANAXVGC-UHFFFAOYSA-M
XLogP-0.91
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Tetraethyl Pyrophosphate
CID 7873
Tributyl Phosphate
CID 31357
Triisobutyl phosphate
CID 31355
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl phosphate
CID 7881
Dibutyl butylphosphonate
CID 6539
Diphosphoric acid, tetrabutyl ester
CID 73861
Monobutyl phosphate
CID 15389
Tripentyl phosphate
CID 75665
Triisopropyl phosphate
CID 68188
Phosphoric acid, dipentyl ester
CID 76589
Dibutyl propylphosphonate
CID 99440

Frequently Asked Questions

What is the IUPAC name of potassium dibutyl phosphate?
The IUPAC name of potassium dibutyl phosphate (CID 23672341) is potassium dibutyl phosphate.
What is the SMILES notation for potassium dibutyl phosphate?
The canonical SMILES for potassium dibutyl phosphate is CCCCOP(=O)([O-])OCCCC.[K+].
What is the InChIKey of potassium dibutyl phosphate?
The InChIKey is DAIJJJOANAXVGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.K/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium dibutyl phosphate?
potassium dibutyl phosphate has a molecular weight of 248.30 g/mol, XLogP of -0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dibutyl phosphate is sourced from PubChem (CID 23672341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).