hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)

C6H11O4Rb — CID 173091928

IUPAChydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
SMILESCCCOC(=O)CC(=O)O.[H-].[Rb+]
InChIInChI=1S/C6H10O4.Rb.H/c1-2-3-10-6(9)4-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyYGORHEDINQBSJK-UHFFFAOYSA-N
MW232.62 g/mol
LogP-2.47
Rot. Bonds4

About hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)

hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+) (PubChem CID 173091928) has the molecular formula C6H11O4Rb and a molecular weight of 232.62 g/mol. Its IUPAC name is hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+).

Molecular Properties

Compound Namehydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
PubChem CID173091928
Molecular FormulaC6H11O4Rb
Molecular Weight232.62 g/mol
Exact Mass231.98
IUPAC Namehydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
SMILESCCCOC(=O)CC(=O)O.[H-].[Rb+]
InChIInChI=1S/C6H10O4.Rb.H/c1-2-3-10-6(9)4-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1
InChIKeyYGORHEDINQBSJK-UHFFFAOYSA-N
XLogP-2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 5-2.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 173322885
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CID 21107838
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Frequently Asked Questions

What is the IUPAC name of hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)?
The IUPAC name of hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+) (CID 173091928) is hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+).
What is the SMILES notation for hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)?
The canonical SMILES for hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+) is CCCOC(=O)CC(=O)O.[H-].[Rb+].
What is the InChIKey of hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)?
The InChIKey is YGORHEDINQBSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.Rb.H/c1-2-3-10-6(9)4-5(7)8;;/h2-4H2,1H3,(H,7,8);;/q;+1;-1.
What are the key properties of hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)?
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+) has a molecular weight of 232.62 g/mol, XLogP of -2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+) is sourced from PubChem (CID 173091928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).