but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid

C7H11O5P — CID 174383763

IUPACbut-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid
SMILESC=C(O)COP(=O)(O)C(=O)C=CC
InChIInChI=1S/C7H11O5P/c1-3-4-7(9)13(10,11)12-5-6(2)8/h3-4,8H,2,5H2,1H3,(H,10,11)
InChIKeyJMJGIEMHPBXLMN-UHFFFAOYSA-N
MW206.13 g/mol
LogP1.36
Rot. Bonds5

About but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid

but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid (PubChem CID 174383763) has the molecular formula C7H11O5P and a molecular weight of 206.13 g/mol. Its IUPAC name is but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid.

Molecular Properties

Compound Namebut-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid
PubChem CID174383763
Molecular FormulaC7H11O5P
Molecular Weight206.13 g/mol
Exact Mass206.03
IUPAC Namebut-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid
SMILESC=C(O)COP(=O)(O)C(=O)C=CC
InChIInChI=1S/C7H11O5P/c1-3-4-7(9)13(10,11)12-5-6(2)8/h3-4,8H,2,5H2,1H3,(H,10,11)
InChIKeyJMJGIEMHPBXLMN-UHFFFAOYSA-N
XLogP1.36
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyprop-2-enyl) hydrogen phosphate
CID 175059095
[ethoxy(hydroxy)phosphoryl] but-2-eneperoxoate
CID 154103960
but-2-enoic acid;ethane-1,2-diol;phosphoric acid
CID 172767718
(E)-1-bis(phenylmethoxy)phosphorylbut-2-en-1-one
CID 11566124
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
1-hydroxyethenyl (E)-but-2-enoate
CID 141389203
(E)-1-dimethylphosphorylpent-3-en-2-one
CID 89316968
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
2-but-2-enoyloxyethylphosphonic acid
CID 73432329
(Z)-1-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]-phenylphosphoryl]-2-methylidenepent-3-en-1-one
CID 89336042
10-phosphonooxydecyl (Z)-but-2-enoate
CID 175720762

Frequently Asked Questions

What is the IUPAC name of but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid?
The IUPAC name of but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid (CID 174383763) is but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid.
What is the SMILES notation for but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid?
The canonical SMILES for but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid is C=C(O)COP(=O)(O)C(=O)C=CC.
What is the InChIKey of but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid?
The InChIKey is JMJGIEMHPBXLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O5P/c1-3-4-7(9)13(10,11)12-5-6(2)8/h3-4,8H,2,5H2,1H3,(H,10,11).
What are the key properties of but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid?
but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid has a molecular weight of 206.13 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoyl(2-hydroxyprop-2-enoxy)phosphinic acid is sourced from PubChem (CID 174383763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).