ethenoxy-methoxycarbonyl-oxophosphanium

C4H6O4P+ — CID 130463703

IUPACethenoxy-methoxycarbonyl-oxophosphanium
SMILESC=CO[P+](=O)C(=O)OC
InChIInChI=1S/C4H6O4P/c1-3-8-9(6)4(5)7-2/h3H,1H2,2H3/q+1
InChIKeyFKSRYUQUIIQIBM-UHFFFAOYSA-N
MW149.06 g/mol
LogP1.66
Rot. Bonds3

About ethenoxy-methoxycarbonyl-oxophosphanium

ethenoxy-methoxycarbonyl-oxophosphanium (PubChem CID 130463703) has the molecular formula C4H6O4P+ and a molecular weight of 149.06 g/mol. Its IUPAC name is ethenoxy-methoxycarbonyl-oxophosphanium.

Molecular Properties

Compound Nameethenoxy-methoxycarbonyl-oxophosphanium
PubChem CID130463703
Molecular FormulaC4H6O4P+
Molecular Weight149.06 g/mol
Exact Mass149.00
IUPAC Nameethenoxy-methoxycarbonyl-oxophosphanium
SMILESC=CO[P+](=O)C(=O)OC
InChIInChI=1S/C4H6O4P/c1-3-8-9(6)4(5)7-2/h3H,1H2,2H3/q+1
InChIKeyFKSRYUQUIIQIBM-UHFFFAOYSA-N
XLogP1.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.06
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethenoxy-methoxycarbonyl-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenoxy-methoxycarbonyl-oxophosphanium?
The IUPAC name of ethenoxy-methoxycarbonyl-oxophosphanium (CID 130463703) is ethenoxy-methoxycarbonyl-oxophosphanium.
What is the SMILES notation for ethenoxy-methoxycarbonyl-oxophosphanium?
The canonical SMILES for ethenoxy-methoxycarbonyl-oxophosphanium is C=CO[P+](=O)C(=O)OC.
What is the InChIKey of ethenoxy-methoxycarbonyl-oxophosphanium?
The InChIKey is FKSRYUQUIIQIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4P/c1-3-8-9(6)4(5)7-2/h3H,1H2,2H3/q+1.
What are the key properties of ethenoxy-methoxycarbonyl-oxophosphanium?
ethenoxy-methoxycarbonyl-oxophosphanium has a molecular weight of 149.06 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy-methoxycarbonyl-oxophosphanium is sourced from PubChem (CID 130463703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).