2-but-2-enoyloxyethylphosphonic acid

C6H11O5P — CID 73432329

IUPAC2-but-2-enoyloxyethylphosphonic acid
SMILESCC=CC(=O)OCCP(=O)(O)O
InChIInChI=1S/C6H11O5P/c1-2-3-6(7)11-4-5-12(8,9)10/h2-3H,4-5H2,1H3,(H2,8,9,10)
InChIKeyOEUWPQNFUTXVSZ-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.28
Rot. Bonds4

About 2-but-2-enoyloxyethylphosphonic acid

2-but-2-enoyloxyethylphosphonic acid (PubChem CID 73432329) has the molecular formula C6H11O5P and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-but-2-enoyloxyethylphosphonic acid.

Molecular Properties

Compound Name2-but-2-enoyloxyethylphosphonic acid
PubChem CID73432329
Molecular FormulaC6H11O5P
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Name2-but-2-enoyloxyethylphosphonic acid
SMILESCC=CC(=O)OCCP(=O)(O)O
InChIInChI=1S/C6H11O5P/c1-2-3-6(7)11-4-5-12(8,9)10/h2-3H,4-5H2,1H3,(H2,8,9,10)
InChIKeyOEUWPQNFUTXVSZ-UHFFFAOYSA-N
XLogP0.28
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;phosphoric acid;propyl but-2-enoate
CID 174919434
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
2-(2-methylbut-2-enoyloxy)ethylphosphonic acid
CID 91184370
3-methylbutyl (Z)-but-2-enoate
CID 93481892
9-[hydroxy(phosphonooxy)phosphoryl]oxynonyl but-2-enoate
CID 150866761
dodecyl (E)-but-2-enoate
CID 5462914
propane;propyl but-2-enoate;zirconium(4+)
CID 173037079
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 2-but-2-enoyloxyethylphosphonic acid?
The IUPAC name of 2-but-2-enoyloxyethylphosphonic acid (CID 73432329) is 2-but-2-enoyloxyethylphosphonic acid.
What is the SMILES notation for 2-but-2-enoyloxyethylphosphonic acid?
The canonical SMILES for 2-but-2-enoyloxyethylphosphonic acid is CC=CC(=O)OCCP(=O)(O)O.
What is the InChIKey of 2-but-2-enoyloxyethylphosphonic acid?
The InChIKey is OEUWPQNFUTXVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O5P/c1-2-3-6(7)11-4-5-12(8,9)10/h2-3H,4-5H2,1H3,(H2,8,9,10).
What are the key properties of 2-but-2-enoyloxyethylphosphonic acid?
2-but-2-enoyloxyethylphosphonic acid has a molecular weight of 194.12 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoyloxyethylphosphonic acid is sourced from PubChem (CID 73432329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).