diethyl (Z)-but-2-enedioate;bis(rutherfordium)

C8H10O4Rf2-2 — CID 59879583

IUPACdiethyl (Z)-but-2-enedioate;bis(rutherfordium)
SMILES[CH2-]COC(=O)/C=C\C(=O)OC[CH2-].[Rf].[Rf]
InChIInChI=1S/C8H10O4.2Rf/c1-3-11-7(9)5-6-8(10)12-4-2;;/h5-6H,1-4H2;;/q-2;;/b6-5-;;
InChIKeyGPXGPHSRECDHPL-XNOMRPDFSA-N
MW704.16 g/mol
LogP0.30
Rot. Bonds4

About diethyl (Z)-but-2-enedioate;bis(rutherfordium)

diethyl (Z)-but-2-enedioate;bis(rutherfordium) (PubChem CID 59879583) has the molecular formula C8H10O4Rf2-2 and a molecular weight of 704.16 g/mol. Its IUPAC name is diethyl (Z)-but-2-enedioate;bis(rutherfordium).

Molecular Properties

Compound Namediethyl (Z)-but-2-enedioate;bis(rutherfordium)
PubChem CID59879583
Molecular FormulaC8H10O4Rf2-2
Molecular Weight704.16 g/mol
Exact Mass704.30
IUPAC Namediethyl (Z)-but-2-enedioate;bis(rutherfordium)
SMILES[CH2-]COC(=O)/C=C\C(=O)OC[CH2-].[Rf].[Rf]
InChIInChI=1S/C8H10O4.2Rf/c1-3-11-7(9)5-6-8(10)12-4-2;;/h5-6H,1-4H2;;/q-2;;/b6-5-;;
InChIKeyGPXGPHSRECDHPL-XNOMRPDFSA-N
XLogP0.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500704.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-ethoxy-4-oxobut-2-enoic acid;rutherfordium
CID 59879586
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
bis(chloromethyl) but-2-enedioate
CID 57287087
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl acetate
CID 58612452
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
CID 5462778
ethyl (Z)-4-amino-4-oxobut-2-enoate
CID 87434500

Frequently Asked Questions

What is the IUPAC name of diethyl (Z)-but-2-enedioate;bis(rutherfordium)?
The IUPAC name of diethyl (Z)-but-2-enedioate;bis(rutherfordium) (CID 59879583) is diethyl (Z)-but-2-enedioate;bis(rutherfordium).
What is the SMILES notation for diethyl (Z)-but-2-enedioate;bis(rutherfordium)?
The canonical SMILES for diethyl (Z)-but-2-enedioate;bis(rutherfordium) is [CH2-]COC(=O)/C=C\C(=O)OC[CH2-].[Rf].[Rf].
What is the InChIKey of diethyl (Z)-but-2-enedioate;bis(rutherfordium)?
The InChIKey is GPXGPHSRECDHPL-XNOMRPDFSA-N. The full InChI is InChI=1S/C8H10O4.2Rf/c1-3-11-7(9)5-6-8(10)12-4-2;;/h5-6H,1-4H2;;/q-2;;/b6-5-;;.
What are the key properties of diethyl (Z)-but-2-enedioate;bis(rutherfordium)?
diethyl (Z)-but-2-enedioate;bis(rutherfordium) has a molecular weight of 704.16 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (Z)-but-2-enedioate;bis(rutherfordium) is sourced from PubChem (CID 59879583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).