4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone - ≥98%(GC) , CAS No.117923-32-7

CAS: 117923-32-7 Cat. No.: T162028 분자식: C₁₇H₃₀O 분자량: 250.43 PubChem CID: 14495772

등급 & 순도 ≥98%(GC)

Synonyms

AS-68399 | FT-0652112 | DTXSID00560997 | 4-{2-[(1S,4R)-4-PROPYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE | SB67100 | 4-(2-(trans-4-propylcyclohexyl)ethyl)cyclohexanone | OLRRTAGESHHXPY-SHTZXODSSA-N | LS-14612 | 4-(2-(trans-4-n-propylcyclohexyl)ethyl)cyclohexanone

Storage

Room temperature

Shipped In

Normal

사양

동의어

AS-68399 | FT-0652112 | DTXSID00560997 | 4-{2-[(1S,4R)-4-PROPYLCYCLOHEXYL]ETHYL}CYCLOHEXAN-1-ONE | SB67100 | 4-(2-(trans-4-propylcyclohexyl)ethyl)cyclohexanone | OLRRTAGESHHXPY-SHTZXODSSA-N | LS-14612 | 4-(2-(trans-4-n-propylcyclohexyl)ethyl)cyclohexanone

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488198675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198675

정식 스마일

CCCC1CCC(CC1)CCC2CCC(=O)CC2

IUPAC Name

4-[2-(4-propylcyclohexyl)ethyl]cyclohexan-1-one

InChIKey

OLRRTAGESHHXPY-UHFFFAOYSA-N

INCHI

1S/C17H30O/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h14-16H,2-13H2,1H3

이성체 SMILES

CCCC1CCC(CC1)CCC2CCC(=O)CC2

PubChem CID

14495772

분자량

250.43

Reaxy-Rn

13244707

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

• 발화점(°C): 143 °C
• 녹는점(°C): 36 °C
• 분자량: 250.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 250.23 Da
• Monoisotopic Mass: 250.23 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 240.000
• 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