(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium

C6H7O4Rf- — CID 59879586

IUPAC(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium
SMILES[CH2-]COC(=O)/C=C/C(=O)O.[Rf]
InChIInChI=1S/C6H7O4.Rf/c1-2-10-6(9)4-3-5(7)8;/h3-4H,1-2H2,(H,7,8);/q-1;/b4-3+;
InChIKeyAWLKPXYQJAAUCO-BJILWQEISA-N
MW410.12 g/mol
LogP0.00
Rot. Bonds3

About (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium

(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium (PubChem CID 59879586) has the molecular formula C6H7O4Rf- and a molecular weight of 410.12 g/mol. Its IUPAC name is (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium.

Molecular Properties

Compound Name(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium
PubChem CID59879586
Molecular FormulaC6H7O4Rf-
Molecular Weight410.12 g/mol
Exact Mass410.16
IUPAC Name(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium
SMILES[CH2-]COC(=O)/C=C/C(=O)O.[Rf]
InChIInChI=1S/C6H7O4.Rf/c1-2-10-6(9)4-3-5(7)8;/h3-4H,1-2H2,(H,7,8);/q-1;/b4-3+;
InChIKeyAWLKPXYQJAAUCO-BJILWQEISA-N
XLogP0.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.12
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium with MolForge

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

Launch Full Analysis

Related Compounds

diethyl (Z)-but-2-enedioate;bis(rutherfordium)
CID 59879583
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
(E)-4-oxo-4-(sulfomethoxy)but-2-enoic acid
CID 19101854
CID 87309385
CID 87309385
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
carbonic acid;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 175217874
sodium (E)-4-ethoxy-4-oxobut-2-enoic acid
CID 20838311
(Z)-4-ethoxy-4-oxobut-2-enoic acid;gadolinium
CID 175407847
4-(methoxymethoxy)-4-oxobut-2-enoic acid
CID 54076670
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium?
The IUPAC name of (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium (CID 59879586) is (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium.
What is the SMILES notation for (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium?
The canonical SMILES for (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium is [CH2-]COC(=O)/C=C/C(=O)O.[Rf].
What is the InChIKey of (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium?
The InChIKey is AWLKPXYQJAAUCO-BJILWQEISA-N. The full InChI is InChI=1S/C6H7O4.Rf/c1-2-10-6(9)4-3-5(7)8;/h3-4H,1-2H2,(H,7,8);/q-1;/b4-3+;.
What are the key properties of (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium?
(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium has a molecular weight of 410.12 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium is sourced from PubChem (CID 59879586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).