potassium;butan-1-ol;dihydrogen phosphate

C4H12KO5P — CID 23668616

IUPACpotassium;butan-1-ol;dihydrogen phosphate
SMILESCCCCO.O=P([O-])(O)O.[K+]
InChIInChI=1S/C4H10O.K.H3O4P/c1-2-3-4-5;;1-5(2,3)4/h5H,2-4H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyMJIKPNWSAFSXSQ-UHFFFAOYSA-M
MW210.21 g/mol
LogP-3.78
Rot. Bonds2

About potassium;butan-1-ol;dihydrogen phosphate

potassium;butan-1-ol;dihydrogen phosphate (PubChem CID 23668616) has the molecular formula C4H12KO5P and a molecular weight of 210.21 g/mol. Its IUPAC name is potassium;butan-1-ol;dihydrogen phosphate.

Molecular Properties

Compound Namepotassium;butan-1-ol;dihydrogen phosphate
PubChem CID23668616
Molecular FormulaC4H12KO5P
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Namepotassium;butan-1-ol;dihydrogen phosphate
SMILESCCCCO.O=P([O-])(O)O.[K+]
InChIInChI=1S/C4H10O.K.H3O4P/c1-2-3-4-5;;1-5(2,3)4/h5H,2-4H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1
InChIKeyMJIKPNWSAFSXSQ-UHFFFAOYSA-M
XLogP-3.78
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 5-3.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric acid, monobutyl ester, potassium salt (1:1)
CID 23672342
Phosphoric acid, butyl ester
CID 3033844
(4-Hydroxybutyl)phosphonic acid
CID 17971710
Dimethyl 1-hydroxybutylphosphonate
CID 573521
1-Hydroxybutylphosphonic acid
CID 12534398
3-Phosphobutanol
CID 156583520
4-Hydroxybutyl dihydrogen phosphate
CID 82534
Dipotassium 4-hydroxybutyl phosphate
CID 11971155
3-Hydroxypropyl dimethyl phosphate
CID 14840641
CID 87270258
CID 87270258
Potassium butyl dihydrogen phosphate
CID 91996619
CID 170839880
CID 170839880

Frequently Asked Questions

What is the IUPAC name of potassium;butan-1-ol;dihydrogen phosphate?
The IUPAC name of potassium;butan-1-ol;dihydrogen phosphate (CID 23668616) is potassium;butan-1-ol;dihydrogen phosphate.
What is the SMILES notation for potassium;butan-1-ol;dihydrogen phosphate?
The canonical SMILES for potassium;butan-1-ol;dihydrogen phosphate is CCCCO.O=P([O-])(O)O.[K+].
What is the InChIKey of potassium;butan-1-ol;dihydrogen phosphate?
The InChIKey is MJIKPNWSAFSXSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O.K.H3O4P/c1-2-3-4-5;;1-5(2,3)4/h5H,2-4H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1.
What are the key properties of potassium;butan-1-ol;dihydrogen phosphate?
potassium;butan-1-ol;dihydrogen phosphate has a molecular weight of 210.21 g/mol, XLogP of -3.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butan-1-ol;dihydrogen phosphate is sourced from PubChem (CID 23668616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).