bis(1-carboxyprop-2-enoxy)-oxophosphanium

C8H10O7P+ — CID 87520434

IUPACbis(1-carboxyprop-2-enoxy)-oxophosphanium
SMILESC=CC(O[P+](=O)OC(C=C)C(=O)O)C(=O)O
InChIInChI=1S/C8H9O7P/c1-3-5(7(9)10)14-16(13)15-6(4-2)8(11)12/h3-6H,1-2H2,(H-,9,10,11,12)/p+1
InChIKeySAZKGZXMGHKPNR-UHFFFAOYSA-O
MW249.13 g/mol
LogP0.96
Rot. Bonds8

About bis(1-carboxyprop-2-enoxy)-oxophosphanium

bis(1-carboxyprop-2-enoxy)-oxophosphanium (PubChem CID 87520434) has the molecular formula C8H10O7P+ and a molecular weight of 249.13 g/mol. Its IUPAC name is bis(1-carboxyprop-2-enoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(1-carboxyprop-2-enoxy)-oxophosphanium
PubChem CID87520434
Molecular FormulaC8H10O7P+
Molecular Weight249.13 g/mol
Exact Mass249.02
IUPAC Namebis(1-carboxyprop-2-enoxy)-oxophosphanium
SMILESC=CC(O[P+](=O)OC(C=C)C(=O)O)C(=O)O
InChIInChI=1S/C8H9O7P/c1-3-5(7(9)10)14-16(13)15-6(4-2)8(11)12/h3-6H,1-2H2,(H-,9,10,11,12)/p+1
InChIKeySAZKGZXMGHKPNR-UHFFFAOYSA-O
XLogP0.96
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-carboxyprop-2-enoxy)-oxophosphanium?
The IUPAC name of bis(1-carboxyprop-2-enoxy)-oxophosphanium (CID 87520434) is bis(1-carboxyprop-2-enoxy)-oxophosphanium.
What is the SMILES notation for bis(1-carboxyprop-2-enoxy)-oxophosphanium?
The canonical SMILES for bis(1-carboxyprop-2-enoxy)-oxophosphanium is C=CC(O[P+](=O)OC(C=C)C(=O)O)C(=O)O.
What is the InChIKey of bis(1-carboxyprop-2-enoxy)-oxophosphanium?
The InChIKey is SAZKGZXMGHKPNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9O7P/c1-3-5(7(9)10)14-16(13)15-6(4-2)8(11)12/h3-6H,1-2H2,(H-,9,10,11,12)/p+1.
What are the key properties of bis(1-carboxyprop-2-enoxy)-oxophosphanium?
bis(1-carboxyprop-2-enoxy)-oxophosphanium has a molecular weight of 249.13 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-carboxyprop-2-enoxy)-oxophosphanium is sourced from PubChem (CID 87520434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).