lithium;formyl 2,2-dimethylpropanoate;hydride

C6H11LiO3 — CID 174785944

IUPAClithium;formyl 2,2-dimethylpropanoate;hydride
SMILESCC(C)(C)C(=O)OC=O.[H-].[Li+]
InChIInChI=1S/C6H10O3.Li.H/c1-6(2,3)5(8)9-4-7;;/h4H,1-3H3;;/q;+1;-1
InChIKeyYMINANKNOINNEX-UHFFFAOYSA-N
MW138.09 g/mol
LogP-2.15
Rot. Bonds1

About lithium;formyl 2,2-dimethylpropanoate;hydride

lithium;formyl 2,2-dimethylpropanoate;hydride (PubChem CID 174785944) has the molecular formula C6H11LiO3 and a molecular weight of 138.09 g/mol. Its IUPAC name is lithium;formyl 2,2-dimethylpropanoate;hydride.

Molecular Properties

Compound Namelithium;formyl 2,2-dimethylpropanoate;hydride
PubChem CID174785944
Molecular FormulaC6H11LiO3
Molecular Weight138.09 g/mol
Exact Mass138.09
IUPAC Namelithium;formyl 2,2-dimethylpropanoate;hydride
SMILESCC(C)(C)C(=O)OC=O.[H-].[Li+]
InChIInChI=1S/C6H10O3.Li.H/c1-6(2,3)5(8)9-4-7;;/h4H,1-3H3;;/q;+1;-1
InChIKeyYMINANKNOINNEX-UHFFFAOYSA-N
XLogP-2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;formyl 2,2-dimethylpropanoate;hydride?
The IUPAC name of lithium;formyl 2,2-dimethylpropanoate;hydride (CID 174785944) is lithium;formyl 2,2-dimethylpropanoate;hydride.
What is the SMILES notation for lithium;formyl 2,2-dimethylpropanoate;hydride?
The canonical SMILES for lithium;formyl 2,2-dimethylpropanoate;hydride is CC(C)(C)C(=O)OC=O.[H-].[Li+].
What is the InChIKey of lithium;formyl 2,2-dimethylpropanoate;hydride?
The InChIKey is YMINANKNOINNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.Li.H/c1-6(2,3)5(8)9-4-7;;/h4H,1-3H3;;/q;+1;-1.
What are the key properties of lithium;formyl 2,2-dimethylpropanoate;hydride?
lithium;formyl 2,2-dimethylpropanoate;hydride has a molecular weight of 138.09 g/mol, XLogP of -2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;formyl 2,2-dimethylpropanoate;hydride is sourced from PubChem (CID 174785944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).