hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid

C11H19O4Rb — CID 173289199

IUPAChydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C(=O)O.[H-].[Rb+]
InChIInChI=1S/C11H18O4.Rb.H/c1-10(2,3)7(12)6-8(13)11(4,5)9(14)15;;/h6H2,1-5H3,(H,14,15);;/q;+1;-1
InChIKeyOSSOIGSAYDSTEC-UHFFFAOYSA-N
MW300.74 g/mol
LogP-1.21
Rot. Bonds4

About hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid

hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid (PubChem CID 173289199) has the molecular formula C11H19O4Rb and a molecular weight of 300.74 g/mol. Its IUPAC name is hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid.

Molecular Properties

Compound Namehydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid
PubChem CID173289199
Molecular FormulaC11H19O4Rb
Molecular Weight300.74 g/mol
Exact Mass300.04
IUPAC Namehydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid
SMILESCC(C)(C)C(=O)CC(=O)C(C)(C)C(=O)O.[H-].[Rb+]
InChIInChI=1S/C11H18O4.Rb.H/c1-10(2,3)7(12)6-8(13)11(4,5)9(14)15;;/h6H2,1-5H3,(H,14,15);;/q;+1;-1
InChIKeyOSSOIGSAYDSTEC-UHFFFAOYSA-N
XLogP-1.21
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 5-1.21
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

tris(2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid);yttrium
CID 154733258
calcium;hydride;2,2,6,6-tetramethylheptane-3,5-dione
CID 173276240
2,2-dimethyl-3-oxopentanedioic acid
CID 19736971
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
2,2-dimethyl-3,5-dioxohexanoic acid
CID 57142628
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
5-imino-2,2,6,6-tetramethyl-3-oxoheptanoic acid
CID 91191059
2,2,6,6-tetramethyl-5-methylideneheptan-3-one
CID 89173069
4-chloro-2,2-dimethyl-3-oxobutanoic acid
CID 19865697
bis(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);zirconium(2+)
CID 175034885
tris(2-methanidyl-2,6,6-trimethylheptane-3,5-dione);neodymium(3+)
CID 174851540

Frequently Asked Questions

What is the IUPAC name of hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid?
The IUPAC name of hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid (CID 173289199) is hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid.
What is the SMILES notation for hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid?
The canonical SMILES for hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid is CC(C)(C)C(=O)CC(=O)C(C)(C)C(=O)O.[H-].[Rb+].
What is the InChIKey of hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid?
The InChIKey is OSSOIGSAYDSTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4.Rb.H/c1-10(2,3)7(12)6-8(13)11(4,5)9(14)15;;/h6H2,1-5H3,(H,14,15);;/q;+1;-1.
What are the key properties of hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid?
hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid has a molecular weight of 300.74 g/mol, XLogP of -1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;rubidium(1+);2,2,6,6-tetramethyl-3,5-dioxoheptanoic acid is sourced from PubChem (CID 173289199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).