4-(trans-4-Ethylcyclohexyl)cyclohexanone - ≥98% , CAS No.150763-46-5

CAS: 150763-46-5 Cat. No.: T162033 분자식: C₁₄H₂₄O 분자량: 208.35 EC 번호: 899-351-8

등급 & 순도 ≥98%

Synonyms

4-(4-ethylcyclohexyl)cyclohexan-1-one | AKOS015909795 | (1'S,4'R)-4'-ETHYL-[1,1'-BI(CYCLOHEXANE)]-4-ONE | [1,1'-Bicyclohexyl]-4-one, 4'-ethyl- | SB66755 | J-525017 | UNII-X0Q6N9USOZ | SCHEMBL6659962 | AMY28697 | A809070 | NSC 758914 | 4-(4-Ethylcyclohexyl

Storage

Room temperature

Shipped In

Normal

사양

동의어

4-(4-ethylcyclohexyl)cyclohexan-1-one | AKOS015909795 | (1'S,4'R)-4'-ETHYL-[1,1'-BI(CYCLOHEXANE)]-4-ONE | [1,1'-Bicyclohexyl]-4-one, 4'-ethyl- | SB66755 | J-525017 | UNII-X0Q6N9USOZ | SCHEMBL6659962 | AMY28697 | A809070 | NSC 758914 | 4-(4-Ethylcyclohexyl

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

508809283

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809283

정식 스마일

CCC1CCC(CC1)C2CCC(=O)CC2

IUPAC Name

4-(4-ethylcyclohexyl)cyclohexan-1-one

InChIKey

ICCIOWLZPJIEBA-UHFFFAOYSA-N

INCHI

1S/C14H24O/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h11-13H,2-10H2,1H3

이성체 SMILES

CCC1CCC(CC1)C2CCC(=O)CC2

분자량

208.35

Reaxy-Rn

36427445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36427445&ln=

Taxonomic Classification

Taxonomy Tree

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

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

화학 및 물리적 특성

• 굴절률: 1.49
• 발화점(°C): 127 °C
• 분자량: 208.340 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.183 Da
• Monoisotopic Mass: 208.183 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 203.000
• 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