4-Isopropoxycyclohexanone - ≥97% , CAS No.69697-46-7

CAS: 69697-46-7 Cat. No.: I194643 分子式: C₉H₁₆O₂ 分子量: 156.22 EC番号: 807-231-3

GRADE & PURITY ≥97%

Synonyms

4-Isopropoxycyclohexanone|69697-46-7|4-propan-2-yloxycyclohexan-1-one|4-(propan-2-yloxy)cyclohexan-1-one|4-isopropoxy-cyclohexanone|SCHEMBL602552|DTXSID20593545|QVHMVEHDBXFYCA-UHFFFAOYSA-N|AMY32199|4-[(1-Methylethyl)oxy]cyclohexanone|MFCD16658578|AKOS0159

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

4-Isopropoxycyclohexanone | 69697-46-7 | 4-propan-2-yloxycyclohexan-1-one | 4-(propan-2-yloxy)cyclohexan-1-one | 4-isopropoxy-cyclohexanone | SCHEMBL602552 | DTXSID20593545 | QVHMVEHDBXFYCA-UHFFFAOYSA-N | AMY32199 | 4-[(1-Methylethyl)oxy]cyclohexanone | MFCD16658578 | AKOS0159

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: CC(C)OC1CCC(=O)CC1
• IUPAC Name: 4-propan-2-yloxycyclohexan-1-one
• InChIKey: QVHMVEHDBXFYCA-UHFFFAOYSA-N
• INCHI: 1S/C9H16O2/c1-7(2)11-9-5-3-8(10)4-6-9/h7,9H,3-6H2,1-2H3
• 異性体SMILES: CC(C)OC1CCC(=O)CC1
• 分子量: 156.22
• Reaxy-Rn: 2353077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 156.220 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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