beryllium (Z)-but-2-enedioate

C4H2BeO4 — CID 140577680

IUPACberyllium (Z)-but-2-enedioate
SMILESO=C([O-])/C=C\C(=O)[O-].[Be+2]
InChIInChI=1S/C4H4O4.Be/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1-;
InChIKeyWWJPNKYMEIATMF-ODZAUARKSA-L
MW123.07 g/mol
LogP-3.34
Rot. Bonds2

About beryllium (Z)-but-2-enedioate

beryllium (Z)-but-2-enedioate (PubChem CID 140577680) has the molecular formula C4H2BeO4 and a molecular weight of 123.07 g/mol. Its IUPAC name is beryllium (Z)-but-2-enedioate.

Molecular Properties

Compound Nameberyllium (Z)-but-2-enedioate
PubChem CID140577680
Molecular FormulaC4H2BeO4
Molecular Weight123.07 g/mol
Exact Mass123.01
IUPAC Nameberyllium (Z)-but-2-enedioate
SMILESO=C([O-])/C=C\C(=O)[O-].[Be+2]
InChIInChI=1S/C4H4O4.Be/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1-;
InChIKeyWWJPNKYMEIATMF-ODZAUARKSA-L
XLogP-3.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.07
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioate
CID 5460307
but-2-enedioate;manganese(2+)
CID 57354505
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);neodymium
CID 139595444
calcium;but-2-enedioate;trihydrate
CID 74057853
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230

Frequently Asked Questions

What is the IUPAC name of beryllium (Z)-but-2-enedioate?
The IUPAC name of beryllium (Z)-but-2-enedioate (CID 140577680) is beryllium (Z)-but-2-enedioate.
What is the SMILES notation for beryllium (Z)-but-2-enedioate?
The canonical SMILES for beryllium (Z)-but-2-enedioate is O=C([O-])/C=C\C(=O)[O-].[Be+2].
What is the InChIKey of beryllium (Z)-but-2-enedioate?
The InChIKey is WWJPNKYMEIATMF-ODZAUARKSA-L. The full InChI is InChI=1S/C4H4O4.Be/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1-;.
What are the key properties of beryllium (Z)-but-2-enedioate?
beryllium (Z)-but-2-enedioate has a molecular weight of 123.07 g/mol, XLogP of -3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium (Z)-but-2-enedioate is sourced from PubChem (CID 140577680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).