2-methylidenebutanedioate;bis(rubidium(1+))

C5H4O4Rb2 — CID 18408060

IUPAC2-methylidenebutanedioate;bis(rubidium(1+))
SMILESC=C(CC(=O)[O-])C(=O)[O-].[Rb+].[Rb+]
InChIInChI=1S/C5H6O4.2Rb/c1-3(5(8)9)2-4(6)7;;/h1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyWORIDORZUPTXIN-UHFFFAOYSA-L
MW299.02 g/mol
LogP-8.56
Rot. Bonds3

About 2-methylidenebutanedioate;bis(rubidium(1+))

2-methylidenebutanedioate;bis(rubidium(1+)) (PubChem CID 18408060) has the molecular formula C5H4O4Rb2 and a molecular weight of 299.02 g/mol. Its IUPAC name is 2-methylidenebutanedioate;bis(rubidium(1+)).

Molecular Properties

Compound Name2-methylidenebutanedioate;bis(rubidium(1+))
PubChem CID18408060
Molecular FormulaC5H4O4Rb2
Molecular Weight299.02 g/mol
Exact Mass297.83
IUPAC Name2-methylidenebutanedioate;bis(rubidium(1+))
SMILESC=C(CC(=O)[O-])C(=O)[O-].[Rb+].[Rb+]
InChIInChI=1S/C5H6O4.2Rb/c1-3(5(8)9)2-4(6)7;;/h1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyWORIDORZUPTXIN-UHFFFAOYSA-L
XLogP-8.56
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.02
LogP ≤ 5-8.56
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

diazanium;2-methylidenebutanedioate;hydrate
CID 141442888
2-methylidenebutanedioate phosphate
CID 19373893
disodium;2-methylidenebutanedioate;methyl prop-2-enoate
CID 172852156
2-methylidenebutanedioate;bis(triethyl(propan-2-yl)azanium)
CID 88714703
2-methylidenebutanedioate;bis(triphenylsulfanium)
CID 87067436
potassium 2-methylidenebutanoate
CID 87611079
2-(fluoromethyl)prop-2-enoate
CID 18790386
bis(praseodymium(3+));tris(propanedioate)
CID 159601608
bis(neodymium(3+));tris(propanedioate)
CID 159312291
hydron;propanedioate
CID 23511544
iron(2+);propanedioate
CID 14944028
azanium;iron(3+);bis(propanedioate)
CID 160868163

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutanedioate;bis(rubidium(1+))?
The IUPAC name of 2-methylidenebutanedioate;bis(rubidium(1+)) (CID 18408060) is 2-methylidenebutanedioate;bis(rubidium(1+)).
What is the SMILES notation for 2-methylidenebutanedioate;bis(rubidium(1+))?
The canonical SMILES for 2-methylidenebutanedioate;bis(rubidium(1+)) is C=C(CC(=O)[O-])C(=O)[O-].[Rb+].[Rb+].
What is the InChIKey of 2-methylidenebutanedioate;bis(rubidium(1+))?
The InChIKey is WORIDORZUPTXIN-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H6O4.2Rb/c1-3(5(8)9)2-4(6)7;;/h1-2H2,(H,6,7)(H,8,9);;/q;2*+1/p-2.
What are the key properties of 2-methylidenebutanedioate;bis(rubidium(1+))?
2-methylidenebutanedioate;bis(rubidium(1+)) has a molecular weight of 299.02 g/mol, XLogP of -8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutanedioate;bis(rubidium(1+)) is sourced from PubChem (CID 18408060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).