potassium dihexyl phosphate

C12H26KO4P — CID 23662447

IUPACpotassium dihexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCCCCCC.[K+]
InChIInChI=1S/C12H27O4P.K/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyPWDIHJMBELMGND-UHFFFAOYSA-M
MW304.41 g/mol
LogP0.65
Rot. Bonds12

About potassium dihexyl phosphate

potassium dihexyl phosphate (PubChem CID 23662447) has the molecular formula C12H26KO4P and a molecular weight of 304.41 g/mol. Its IUPAC name is potassium dihexyl phosphate.

Molecular Properties

Compound Namepotassium dihexyl phosphate
PubChem CID23662447
Molecular FormulaC12H26KO4P
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Namepotassium dihexyl phosphate
SMILESCCCCCCOP(=O)([O-])OCCCCCC.[K+]
InChIInChI=1S/C12H27O4P.K/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyPWDIHJMBELMGND-UHFFFAOYSA-M
XLogP0.65
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.65
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

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Monotridecyl phosphate
CID 82161
Potassium Lauryl Phosphate
CID 11970398
Phosphoric acid, trihexyl ester
CID 75666
Monooctyl phosphate
CID 19892
Octyl potassium phosphate
CID 29394
Tripentyl phosphate
CID 75665
Phosphoric acid, dipentyl ester
CID 76589
Phosphoric acid, octyl ester
CID 21896147

Frequently Asked Questions

What is the IUPAC name of potassium dihexyl phosphate?
The IUPAC name of potassium dihexyl phosphate (CID 23662447) is potassium dihexyl phosphate.
What is the SMILES notation for potassium dihexyl phosphate?
The canonical SMILES for potassium dihexyl phosphate is CCCCCCOP(=O)([O-])OCCCCCC.[K+].
What is the InChIKey of potassium dihexyl phosphate?
The InChIKey is PWDIHJMBELMGND-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O4P.K/c1-3-5-7-9-11-15-17(13,14)16-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of potassium dihexyl phosphate?
potassium dihexyl phosphate has a molecular weight of 304.41 g/mol, XLogP of 0.65, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dihexyl phosphate is sourced from PubChem (CID 23662447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).