ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate - ≥97% , CAS No.189509-22-6

CAS: 189509-22-6 Cat. No.: E630958 Peso molecular: 244.28 PubChem CID: 11096838

GRADE & PURITY ≥97%

Synonyms

A880447 | SY115315 | DTXSID20455119 | C73628 | MFCD22761954 | Ethyl2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate | ETHYL 2-{8-HYDROXY-1,4-DIOXASPIRO[4.5]DECAN-8-YL}ACETATE | EN300-704305 | C12H20O5 | Ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A880447 | SY115315 | DTXSID20455119 | C73628 | MFCD22761954 | Ethyl2-(8-hydroxy-1, 4-dioxaspiro[4.5]decan-8-yl)acetate | ETHYL 2-{8-HYDROXY-1, 4-DIOXASPIRO[4.5]DECAN-8-YL}ACETATE | EN300-704305 | C12H20O5 | Ethyl 2-(8-hydroxy-1, 4-dioxaspiro[4.5]decan-8-yl)a

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)CC1(CCC2(CC1)OCCO2)O
• IUPAC Name: ethyl 2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetate
• InChIKey: WHKXSXPMLULVEK-UHFFFAOYSA-N
• INCHI: 1S/C12H20O5/c1-2-15-10(13)9-11(14)3-5-12(6-4-11)16-7-8-17-12/h14H,2-9H2,1H3
• Isómeros SMILES: CCOC(=O)CC1(CCC2(CC1)OCCO2)O
• CAS alternativo: 189509-22-6
• PubChem CID: 11096838
• Peso molecular: 244.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Tertiary alcohols 1,3-dioxolanes Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Ketal - Tertiary alcohol - Cyclic alcohol - Meta-dioxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propiedades químicas y físicas

• Peso molecular: 244.280 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.131 Da
• Monoisotopic Mass: 244.131 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 273.000
• 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