Cyclohexyl cyclohexanecarboxylate - ≥95% , CAS No.15840-96-7

CAS: 15840-96-7 Cat. No.: C181803 Formule: C₁₃H₂₂O₂ Poids moléculaire: 210.31

QUALITÉ & PURETÉ ≥95%

Synonyms

CyclohexylCyclohexanecarboxylate|Cyclohexyl cyclohexanecarboxylate #|cyclohexyl cyclohexanoate|Cyclohexyl cyclohexanecarboxylate|Cyclohexanecarboxylic acid, cyclohexyl ester

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

CyclohexylCyclohexanecarboxylate | Cyclohexyl cyclohexanecarboxylate # | cyclohexyl cyclohexanoate | Cyclohexyl cyclohexanecarboxylate | Cyclohexanecarboxylic acid, cyclohexyl ester

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528773255

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773255

Sourires canoniques

C1CCC(CC1)C(=O)OC2CCCCC2

IUPAC Name

cyclohexyl cyclohexanecarboxylate

InChIKey

VJCWGXGMXAVKJU-UHFFFAOYSA-N

INCHI

1S/C13H22O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2

Isomères SMILES

C1CCC(CC1)C(=O)OC2CCCCC2

Poids moléculaire

210.31

Reaxy-Rn

2048659

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048659&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: 210.310 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.162 Da
• Monoisotopic Mass: 210.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 201.000
• 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