potassium;hexadecylphosphonic acid;hydride

C16H36KO3P — CID 175356287

IUPACpotassium;hexadecylphosphonic acid;hydride
SMILESCCCCCCCCCCCCCCCCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C16H35O3P.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;+1;-1
InChIKeyIJKAVRUVFXYVOU-UHFFFAOYSA-N
MW346.53 g/mol
LogP2.76
Rot. Bonds15

About potassium;hexadecylphosphonic acid;hydride

potassium;hexadecylphosphonic acid;hydride (PubChem CID 175356287) has the molecular formula C16H36KO3P and a molecular weight of 346.53 g/mol. Its IUPAC name is potassium;hexadecylphosphonic acid;hydride.

Molecular Properties

Compound Namepotassium;hexadecylphosphonic acid;hydride
PubChem CID175356287
Molecular FormulaC16H36KO3P
Molecular Weight346.53 g/mol
Exact Mass346.20
IUPAC Namepotassium;hexadecylphosphonic acid;hydride
SMILESCCCCCCCCCCCCCCCCP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C16H35O3P.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;+1;-1
InChIKeyIJKAVRUVFXYVOU-UHFFFAOYSA-N
XLogP2.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

hexylphosphonic acid;octylphosphonic acid
CID 155346901
octadecylphosphonic acid;zirconium
CID 87308115
dodecylphosphonic acid;phosphoric acid
CID 88779225
CID 86733794
CID 86733794
azane;pentylphosphonic acid
CID 173073704
potassium;butylphosphonic acid;hydride
CID 174388690
butylphosphonic acid;neodymium
CID 134499527
5-phosphonopentylphosphonic acid
CID 2773804
dimethyl-octadecyl-(12-phosphonododecyl)azanium bromide
CID 135367903
dodecane;phosphoric acid
CID 88801558
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973

Frequently Asked Questions

What is the IUPAC name of potassium;hexadecylphosphonic acid;hydride?
The IUPAC name of potassium;hexadecylphosphonic acid;hydride (CID 175356287) is potassium;hexadecylphosphonic acid;hydride.
What is the SMILES notation for potassium;hexadecylphosphonic acid;hydride?
The canonical SMILES for potassium;hexadecylphosphonic acid;hydride is CCCCCCCCCCCCCCCCP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hexadecylphosphonic acid;hydride?
The InChIKey is IJKAVRUVFXYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O3P.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;+1;-1.
What are the key properties of potassium;hexadecylphosphonic acid;hydride?
potassium;hexadecylphosphonic acid;hydride has a molecular weight of 346.53 g/mol, XLogP of 2.76, 15 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexadecylphosphonic acid;hydride is sourced from PubChem (CID 175356287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).