LITHIUM 4-CYCLOHEXANEBUTYRATE , CAS No.62638-00-0

CAS: 62638-00-0 Cat. No.: L171237 Formula: C₁₀H₁₇LiO₂ Molecular Weight: 176.185

Synonyms

Lithium 4-cyclohexylbutyrate | Cyclohexanebutanoic acid, lithium salt (1:1) | lithium 4-cyclohexylbutanoate | AKOS025295562 | Lithium cyclohexanbutyrate | Lithium cyclohexanebutyrate, AAS | lithium;4-cyclohexylbutanoate | SCHEMBL3888068 | lithium4-cyclohe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Lithium 4-cyclohexylbutyrate | Cyclohexanebutanoic acid, lithium salt (1:1) | lithium 4-cyclohexylbutanoate | AKOS025295562 | Lithium cyclohexanbutyrate | Lithium cyclohexanebutyrate, AAS | lithium;4-cyclohexylbutanoate | SCHEMBL3888068 | lithium4-cyclohe

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: [Li+].C1CCC(CC1)CCCC(=O)[O-]
• IUPAC Name: lithium;4-cyclohexylbutanoate
• InChIKey: URLCIQQRJXWBIF-UHFFFAOYSA-M
• INCHI: 1S/C10H18O2.Li/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h9H,1-8H2,(H,11,12);/q;+1/p-1
• Isomeric SMILES: [Li+].C1CCC(CC1)CCCC(=O)[O-]
• Molecular Weight: 176.185
• Reaxy-Rn: 18837067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18837067&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acids and conjugates
• Alternative Parents: Carboxylic acid salts Organic lithium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty acid - Carboxylic acid salt - Organic lithium salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 176.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.139 Da
• Monoisotopic Mass: 176.139 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 142.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 62638-00-0, the molecular formula is C10H17LiO2, and the molecular weight is 176.185 g/mol. InChIKey URLCIQQRJXWBIF-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.