4-(2-hydroxyethyl)cyclohexan-1-one - ≥97% , CAS No.32863-01-7

CAS: 32863-01-7 Cat. No.: C633617 Summenformel: C₈H₁₄O₂ Molekulargewicht: 142.2 PubChem CID: 15700392

GRADE & PURITY ≥97%

Synonyms

F2147-3469 | SCHEMBL100261 | A1-13507 | AB7316 | AS-44832 | 4-(2-Hydroxyethyl)cyclohexanone | 4-(2-hydroxy-ethyl)cyclohexanone | 4-(2-hydroxy-ethyl)-cyclohexanone | 4-(2-Hydroxyethyl)-cyclohexanone | EN300-1223496 | A903167 | MFCD07779437 | AKOS006230531

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

F2147-3469 | SCHEMBL100261 | A1-13507 | AB7316 | AS-44832 | 4-(2-Hydroxyethyl)cyclohexanone | 4-(2-hydroxy-ethyl)cyclohexanone | 4-(2-hydroxy-ethyl)-cyclohexanone | 4-(2-Hydroxyethyl)-cyclohexanone | EN300-1223496 | A903167 | MFCD07779437 | AKOS006230531

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CC(=O)CCC1CCO

IUPAC Name

4-(2-hydroxyethyl)cyclohexan-1-one

InChIKey

BCEXHABGXALHQU-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h7,9H,1-6H2

Isomere SMILES

C1CC(=O)CCC1CCO

Alternative CAS-Nummer

32863-01-7

PubChem CID

15700392

Molekulargewicht

142.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 142.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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