Cyclohexylmethyl cyclohexanecarboxylate - ≥95% , CAS No.2611-02-1

CAS: 2611-02-1 Cat. No.: C192383 Formule: C₁₄H₂₄O₂ Poids moléculaire: 224.34

GRADE & PURITY ≥95%

Synonyms

Cyclohexylmethyl cyclohexanecarboxylate|2611-02-1|Cyclohexanecarboxylic acid, cyclohexylmethyl ester|FQ8CDC3E94|Cyclohexylmethyl cyclohexanoate|SCHEMBL312981|DTXSID30180743|Cyclohexylmethylcyclohexanecarboxylate|EINECS 220-032-0|MFCD20528370|AKOS015840743

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

Cyclohexylmethyl cyclohexanecarboxylate | 2611-02-1 | Cyclohexanecarboxylic acid, cyclohexylmethyl ester | FQ8CDC3E94 | Cyclohexylmethyl cyclohexanoate | SCHEMBL312981 | DTXSID30180743 | Cyclohexylmethylcyclohexanecarboxylate | EINECS 220-032-0 | MFCD20528370 | AKOS015840743

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1CCC(CC1)COC(=O)C2CCCCC2
• IUPAC Name: cyclohexylmethyl cyclohexanecarboxylate
• InChIKey: XWINVLMFYISLRL-UHFFFAOYSA-N
• INCHI: 1S/C14H24O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h12-13H,1-11H2
• Isomères SMILES: C1CCC(CC1)COC(=O)C2CCCCC2
• Poids moléculaire: 224.34
• Reaxy-Rn: 2100900
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 224.340 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 224.178 Da
• Monoisotopic Mass: 224.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 213.000
• 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: 1