potassium;phosphoric acid;propyl but-2-enoate

C7H14KO6P — CID 174919434

IUPACpotassium;phosphoric acid;propyl but-2-enoate
SMILESO=P(O)(O)O.[CH2-]CCOC(=O)C=CC.[K+]
InChIInChI=1S/C7H11O2.K.H3O4P/c1-3-5-7(8)9-6-4-2;;1-5(2,3)4/h3,5H,2,4,6H2,1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyVOXXPLZBEUWXEF-UHFFFAOYSA-N
MW264.25 g/mol
LogP-2.59
Rot. Bonds3

About potassium;phosphoric acid;propyl but-2-enoate

potassium;phosphoric acid;propyl but-2-enoate (PubChem CID 174919434) has the molecular formula C7H14KO6P and a molecular weight of 264.25 g/mol. Its IUPAC name is potassium;phosphoric acid;propyl but-2-enoate.

Molecular Properties

Compound Namepotassium;phosphoric acid;propyl but-2-enoate
PubChem CID174919434
Molecular FormulaC7H14KO6P
Molecular Weight264.25 g/mol
Exact Mass264.02
IUPAC Namepotassium;phosphoric acid;propyl but-2-enoate
SMILESO=P(O)(O)O.[CH2-]CCOC(=O)C=CC.[K+]
InChIInChI=1S/C7H11O2.K.H3O4P/c1-3-5-7(8)9-6-4-2;;1-5(2,3)4/h3,5H,2,4,6H2,1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyVOXXPLZBEUWXEF-UHFFFAOYSA-N
XLogP-2.59
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-2.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propane;propyl but-2-enoate;zirconium(4+)
CID 173037079
2-but-2-enoyloxyethylphosphonic acid
CID 73432329
10-phosphonooxydecyl (Z)-but-2-enoate
CID 175720762
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
3-methylbutyl (Z)-but-2-enoate
CID 93481892
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
9-[hydroxy(phosphonooxy)phosphoryl]oxynonyl but-2-enoate
CID 150866761
dodecyl (E)-but-2-enoate
CID 5462914
ethyl (E)-but-2-enoate;methanamine
CID 88817268
3-but-2-enoyloxypropylphosphonous acid
CID 151118739
(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
CID 146427567

Frequently Asked Questions

What is the IUPAC name of potassium;phosphoric acid;propyl but-2-enoate?
The IUPAC name of potassium;phosphoric acid;propyl but-2-enoate (CID 174919434) is potassium;phosphoric acid;propyl but-2-enoate.
What is the SMILES notation for potassium;phosphoric acid;propyl but-2-enoate?
The canonical SMILES for potassium;phosphoric acid;propyl but-2-enoate is O=P(O)(O)O.[CH2-]CCOC(=O)C=CC.[K+].
What is the InChIKey of potassium;phosphoric acid;propyl but-2-enoate?
The InChIKey is VOXXPLZBEUWXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.K.H3O4P/c1-3-5-7(8)9-6-4-2;;1-5(2,3)4/h3,5H,2,4,6H2,1H3;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of potassium;phosphoric acid;propyl but-2-enoate?
potassium;phosphoric acid;propyl but-2-enoate has a molecular weight of 264.25 g/mol, XLogP of -2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;phosphoric acid;propyl but-2-enoate is sourced from PubChem (CID 174919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).