lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride

C19H38KLiO4 — CID 175224821

IUPAClithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride
SMILESCCC(C)(OC(=O)CC(=O)OC(C)(CC)C(C)(C)C)C(C)(C)C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C19H36O4.K.Li.2H/c1-11-18(9,16(3,4)5)22-14(20)13-15(21)23-19(10,12-2)17(6,7)8;;;;/h11-13H2,1-10H3;;;;/q;2*+1;2*-1
InChIKeyHDVQWOCIESWJCS-UHFFFAOYSA-N
MW376.55 g/mol
LogP-0.87
Rot. Bonds6

About lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride

lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride (PubChem CID 175224821) has the molecular formula C19H38KLiO4 and a molecular weight of 376.55 g/mol. Its IUPAC name is lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride.

Molecular Properties

Compound Namelithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride
PubChem CID175224821
Molecular FormulaC19H38KLiO4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Namelithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride
SMILESCCC(C)(OC(=O)CC(=O)OC(C)(CC)C(C)(C)C)C(C)(C)C.[H-].[H-].[K+].[Li+]
InChIInChI=1S/C19H36O4.K.Li.2H/c1-11-18(9,16(3,4)5)22-14(20)13-15(21)23-19(10,12-2)17(6,7)8;;;;/h11-13H2,1-10H3;;;;/q;2*+1;2*-1
InChIKeyHDVQWOCIESWJCS-UHFFFAOYSA-N
XLogP-0.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride?
The IUPAC name of lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride (CID 175224821) is lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride.
What is the SMILES notation for lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride?
The canonical SMILES for lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride is CCC(C)(OC(=O)CC(=O)OC(C)(CC)C(C)(C)C)C(C)(C)C.[H-].[H-].[K+].[Li+].
What is the InChIKey of lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride?
The InChIKey is HDVQWOCIESWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4.K.Li.2H/c1-11-18(9,16(3,4)5)22-14(20)13-15(21)23-19(10,12-2)17(6,7)8;;;;/h11-13H2,1-10H3;;;;/q;2*+1;2*-1.
What are the key properties of lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride?
lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride has a molecular weight of 376.55 g/mol, XLogP of -0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;bis(2,2,3-trimethylpentan-3-yl) propanedioate;hydride is sourced from PubChem (CID 175224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).