2-Methyl-2-cyclohexen-1-one - ≥95% , CAS No.1121-18-2

CAS: 1121-18-2 Cat. No.: M463131 分子式: C₇H₁₀O 分子量: 110.15 EC番号: 802-328-7

GRADE & PURITY ≥95%

Synonyms

2-Methyl-2-cyclohexen-1-one | 2-Methyl-2-cyclohexen-1-one # | I8GTZ04A1D | E86819 | A18080 | SCHEMBL745837 | 2-methyl-cyclohex-2-en-1-one | 2-methylcyclohex-2-en-1-one | 2-Methyl-cyclohex-2-enone | 2-methylcyclohex-2-enone | AKOS006237415 | 2-Cyclohexen-1

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

同義語

2-Methyl-2-cyclohexen-1-one | 2-Methyl-2-cyclohexen-1-one # | I8GTZ04A1D | E86819 | A18080 | SCHEMBL745837 | 2-methyl-cyclohex-2-en-1-one | 2-methylcyclohex-2-en-1-one | 2-Methyl-cyclohex-2-enone | 2-methylcyclohex-2-enone | AKOS006237415 | 2-Cyclohexen-1

仕様と純度

≥95%

保管条件

Protected from light,Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

カノニカル・スマイル

CC1=CCCCC1=O

IUPAC Name

2-methylcyclohex-2-en-1-one

InChIKey

LKTNAAYQZJAXCJ-UHFFFAOYSA-N

INCHI

1S/C7H10O/c1-6-4-2-3-5-7(6)8/h4H,2-3,5H2,1H3

異性体SMILES

CC1=CCCCC1=O

分子量

110.15

Reaxy-Rn

1446201

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446201&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexenone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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

• 感度: Light & air sensitive
• 分子量: 110.150 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 133.000
• 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