2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid

C9H13O5P — CID 19024375

IUPAC2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
SMILESC=CCOP(=O)(OCC=C)C(=C)C(=O)O
InChIInChI=1S/C9H13O5P/c1-4-6-13-15(12,14-7-5-2)8(3)9(10)11/h4-5H,1-3,6-7H2,(H,10,11)
InChIKeyMRPGTSSPFXDTRC-UHFFFAOYSA-N
MW232.17 g/mol
LogP2.18
Rot. Bonds8

About 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid

2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid (PubChem CID 19024375) has the molecular formula C9H13O5P and a molecular weight of 232.17 g/mol. Its IUPAC name is 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid.

Molecular Properties

Compound Name2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
PubChem CID19024375
Molecular FormulaC9H13O5P
Molecular Weight232.17 g/mol
Exact Mass232.05
IUPAC Name2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
SMILESC=CCOP(=O)(OCC=C)C(=C)C(=O)O
InChIInChI=1S/C9H13O5P/c1-4-6-13-15(12,14-7-5-2)8(3)9(10)11/h4-5H,1-3,6-7H2,(H,10,11)
InChIKeyMRPGTSSPFXDTRC-UHFFFAOYSA-N
XLogP2.18
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
disodium bis(carboxy(prop-2-enoxy)phosphinate)
CID 173451662
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
disodium;prop-2-enyl phosphate
CID 87157623
trisodium;hydride;phosphoric acid;prop-2-enyl dihydrogen phosphate
CID 174828958
methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055
N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
CID 170085376
2-ethyl-2-[hydroxy(prop-2-enoxy)phosphoryl]butanoic acid
CID 87623083
zinc prop-2-enyl phosphate
CID 87515855
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
prop-2-enyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate;prop-2-ynyl [prop-2-enoxy(prop-2-ynoxy)phosphoryl]formate
CID 161293665

Frequently Asked Questions

What is the IUPAC name of 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid?
The IUPAC name of 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid (CID 19024375) is 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid.
What is the SMILES notation for 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid?
The canonical SMILES for 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid is C=CCOP(=O)(OCC=C)C(=C)C(=O)O.
What is the InChIKey of 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid?
The InChIKey is MRPGTSSPFXDTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O5P/c1-4-6-13-15(12,14-7-5-2)8(3)9(10)11/h4-5H,1-3,6-7H2,(H,10,11).
What are the key properties of 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid?
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid has a molecular weight of 232.17 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid is sourced from PubChem (CID 19024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).