potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride

C9H22KO4P — CID 174996934

IUPACpotassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
SMILESCC(C)CC(CC(C)C)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C9H21O4P.K.H/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);;/q;+1;-1
InChIKeyHQINLLDTGPHUAY-UHFFFAOYSA-N
MW264.34 g/mol
LogP-0.33
Rot. Bonds6

About potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride

potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride (PubChem CID 174996934) has the molecular formula C9H22KO4P and a molecular weight of 264.34 g/mol. Its IUPAC name is potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride.

Molecular Properties

Compound Namepotassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
PubChem CID174996934
Molecular FormulaC9H22KO4P
Molecular Weight264.34 g/mol
Exact Mass264.09
IUPAC Namepotassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
SMILESCC(C)CC(CC(C)C)OP(=O)(O)O.[H-].[K+]
InChIInChI=1S/C9H21O4P.K.H/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);;/q;+1;-1
InChIKeyHQINLLDTGPHUAY-UHFFFAOYSA-N
XLogP-0.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride?
The IUPAC name of potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride (CID 174996934) is potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride.
What is the SMILES notation for potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride?
The canonical SMILES for potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride is CC(C)CC(CC(C)C)OP(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride?
The InChIKey is HQINLLDTGPHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P.K.H/c1-7(2)5-9(6-8(3)4)13-14(10,11)12;;/h7-9H,5-6H2,1-4H3,(H2,10,11,12);;/q;+1;-1.
What are the key properties of potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride?
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride has a molecular weight of 264.34 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride is sourced from PubChem (CID 174996934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).