cIS-2,2-디메틸-3-헥센 - ≥95%(GC) , CAS No.690-92-6

CAS: 690-92-6 Cat. No.: C153575 분자식: C₈H₁₆ 분자량: 112.22 EC 번호: 679-783-1

등급 & 순도 ≥95%(GC)

Synonyms

(3Z)-2,2-디메틸-3-헥센 # | JPLZSSHKQZJYTJ-SREVYHEPSA-N | 3-헥센, 2,2-디메틸-, (3Z)- | (Z)-2,2-디메틸-hex-3-엔 | (Z)-2,2-디메틸헥사-3-엔 | 2,2-디메틸-3-헥센, (3Z)- | 2,2-디메틸-3-헥센(시스) | (Z)-2,2-디메틸-3-헥센 | NSC 74165 | NSC

Storage

Room temperature

Shipped In

보통

사양

동의어

(3Z)-2,2-디메틸-3-헥센 # | JPLZSSHKQZJYTJ-SREVYHEPSA-N | 3-헥센, 2,2-디메틸-, (3Z)- | (Z)-2,2-디메틸-hex-3-엔 | (Z)-2,2-디메틸헥사-3-엔 | 2,2-디메틸-3-헥센, (3Z)- | 2,2-디메틸-3-헥센(시스) | (Z)-2,2-디메틸-3-헥센 | NSC 74165 | NSC

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥95%(GC)

이름과 식별자

정식 스마일

CCC=CC(C)(C)C

IUPAC Name

(Z)-2,2-dimethylhex-3-ene

InChIKey

JPLZSSHKQZJYTJ-SREVYHEPSA-N

INCHI

1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-

이성체 SMILES

CC/C=C\C(C)(C)C

분자량

112.22

Reaxy-Rn

22125700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22125700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• 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: 1.41
• 발화점(°F): 4°C(lit.)
• 발화점(°C): 4°C(lit.)
• 끓는점(°C): 105 °C
• 분자량: 112.210 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1