4,4-dimethoxycyclohexan-1-one - ≥97% , CAS No.56180-50-8

CAS: 56180-50-8 Cat. No.: D635973 Formula: C₈H₁₄O₃ Peso molecolare: 158.2 PubChem CID: 568245

GRADE & PURITY ≥97%

Synonyms

DTXSID40340876 | PS-15547 | 4,4-Dimethoxycyclohexanone # | 4,4-Dimethoxycyclohexanone | PB47726 | SCHEMBL3039523 | Cyclohexanone, 4,4-dimethoxy- | MFCD24689397 | EN300-7744152 | 4,4-dimethoxycyclohexan-1-one | D78852

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID40340876 | PS-15547 | 4,4-Dimethoxycyclohexanone # | 4,4-Dimethoxycyclohexanone | PB47726 | SCHEMBL3039523 | Cyclohexanone, 4,4-dimethoxy- | MFCD24689397 | EN300-7744152 | 4,4-dimethoxycyclohexan-1-one | D78852

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: COC1(CCC(=O)CC1)OC
• IUPAC Name: 4,4-dimethoxycyclohexan-1-one
• InChIKey: UOJCLZFJKRTXGV-UHFFFAOYSA-N
• INCHI: 1S/C8H14O3/c1-10-8(11-2)5-3-7(9)4-6-8/h3-6H2,1-2H3
• Isomeri SMILES: COC1(CCC(=O)CC1)OC
• CAS alternativo: 56180-50-8
• PubChem CID: 568245
• Peso molecolare: 158.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketal - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 158.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• 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