potassium;butylphosphonic acid;hydride

C4H12KO3P — CID 174388690

IUPACpotassium;butylphosphonic acid;hydride
SMILESCCCCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C4H11O3P.K.H/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;+1;-1
InChIKeyNUDGIGKJEZELFX-UHFFFAOYSA-N
MW178.21 g/mol
LogP-1.92
Rot. Bonds3

About potassium;butylphosphonic acid;hydride

potassium;butylphosphonic acid;hydride (PubChem CID 174388690) has the molecular formula C4H12KO3P and a molecular weight of 178.21 g/mol. Its IUPAC name is potassium;butylphosphonic acid;hydride.

Molecular Properties

Compound Namepotassium;butylphosphonic acid;hydride
PubChem CID174388690
Molecular FormulaC4H12KO3P
Molecular Weight178.21 g/mol
Exact Mass178.02
IUPAC Namepotassium;butylphosphonic acid;hydride
SMILESCCCCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C4H11O3P.K.H/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;+1;-1
InChIKeyNUDGIGKJEZELFX-UHFFFAOYSA-N
XLogP-1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butylphosphonic acid;neodymium
CID 134499527
potassium;hexadecylphosphonic acid;hydride
CID 175356287
hexylphosphonic acid;octylphosphonic acid
CID 155346901
azane;pentylphosphonic acid
CID 173073704
CID 86733794
CID 86733794
dodecylphosphonic acid;phosphoric acid
CID 88779225
octadecylphosphonic acid;zirconium
CID 87308115
butyl(methyl)phosphinic acid
CID 10909622
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
4-chlorooctylphosphonic acid
CID 87857502
5-phosphonopentylphosphonic acid
CID 2773804

Frequently Asked Questions

What is the IUPAC name of potassium;butylphosphonic acid;hydride?
The IUPAC name of potassium;butylphosphonic acid;hydride (CID 174388690) is potassium;butylphosphonic acid;hydride.
What is the SMILES notation for potassium;butylphosphonic acid;hydride?
The canonical SMILES for potassium;butylphosphonic acid;hydride is CCCCP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;butylphosphonic acid;hydride?
The InChIKey is NUDGIGKJEZELFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P.K.H/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);;/q;+1;-1.
What are the key properties of potassium;butylphosphonic acid;hydride?
potassium;butylphosphonic acid;hydride has a molecular weight of 178.21 g/mol, XLogP of -1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;butylphosphonic acid;hydride is sourced from PubChem (CID 174388690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).