lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride

C12H19LiO7 — CID 175408310

IUPAClithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
SMILESO=C(O)CC(O)(CC(=O)OC1CCCCC1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C12H18O7.Li.H/c13-9(14)6-12(18,11(16)17)7-10(15)19-8-4-2-1-3-5-8;;/h8,18H,1-7H2,(H,13,14)(H,16,17);;/q;+1;-1
InChIKeyGFGXVSQEVDFHAE-UHFFFAOYSA-N
MW282.22 g/mol
LogP-2.34
Rot. Bonds6

About lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride

lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride (PubChem CID 175408310) has the molecular formula C12H19LiO7 and a molecular weight of 282.22 g/mol. Its IUPAC name is lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride.

Molecular Properties

Compound Namelithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
PubChem CID175408310
Molecular FormulaC12H19LiO7
Molecular Weight282.22 g/mol
Exact Mass282.13
IUPAC Namelithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
SMILESO=C(O)CC(O)(CC(=O)OC1CCCCC1)C(=O)O.[H-].[Li+]
InChIInChI=1S/C12H18O7.Li.H/c13-9(14)6-12(18,11(16)17)7-10(15)19-8-4-2-1-3-5-8;;/h8,18H,1-7H2,(H,13,14)(H,16,17);;/q;+1;-1
InChIKeyGFGXVSQEVDFHAE-UHFFFAOYSA-N
XLogP-2.34
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-(2-oxo-2-piperidin-4-yloxyethyl)butanedioic acid
CID 174892383
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid;lanthanum
CID 87975586
2-[2-(2-adamantyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 175096212
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
2-[2-(1-amino-3-cyclohexylpropoxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 118172822
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
CID 174888423
dicyclohexyl pentanedioate
CID 15593941

Frequently Asked Questions

What is the IUPAC name of lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The IUPAC name of lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride (CID 175408310) is lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride.
What is the SMILES notation for lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The canonical SMILES for lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride is O=C(O)CC(O)(CC(=O)OC1CCCCC1)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
The InChIKey is GFGXVSQEVDFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7.Li.H/c13-9(14)6-12(18,11(16)17)7-10(15)19-8-4-2-1-3-5-8;;/h8,18H,1-7H2,(H,13,14)(H,16,17);;/q;+1;-1.
What are the key properties of lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride?
lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride has a molecular weight of 282.22 g/mol, XLogP of -2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(2-cyclohexyloxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride is sourced from PubChem (CID 175408310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).