1,1-Dimethoxycyclopentane - ≥95% , CAS No.931-94-2

CAS: 931-94-2 Cat. No.: D155928 Formule: C₇H₁₄O₂ Poids moléculaire: 130.19 Numéro CE: 621-828-4

GRADE & PURITY ≥95%

Synonyms

SCHEMBL731782 | DTXSID80335145 | cyclopentanone dimethyl acetal | Cyclopentanone Dimethylketal | FT-0694286 | MFCD00060058 | BS-22655 | D1886 | 1,1-Dimethoxycyclopentane | 1,1-dimethoxy-cyclopentane | AKOS024428998 | dimethoxycyclopentane | T71471

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL731782 | DTXSID80335145 | cyclopentanone dimethyl acetal | Cyclopentanone Dimethylketal | FT-0694286 | MFCD00060058 | BS-22655 | D1886 | 1,1-Dimethoxycyclopentane | 1,1-dimethoxy-cyclopentane | AKOS024428998 | dimethoxycyclopentane | T71471

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508806917
• Sourires canoniques: COC1(CCCC1)OC
• IUPAC Name: 1,1-dimethoxycyclopentane
• InChIKey: AGWFDZMDKNQQHG-UHFFFAOYSA-N
• INCHI: 1S/C7H14O2/c1-8-7(9-2)5-3-4-6-7/h3-6H2,1-2H3
• Isomères SMILES: COC1(CCCC1)OC
• Poids moléculaire: 130.19
• Reaxy-Rn: 2037136
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2037136&ln=

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: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.42
• Point d'ébullition (°C): 140°C(lit.)
• Poids moléculaire: 130.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 130.099 Da
• Monoisotopic Mass: 130.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 78.900
• 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