3-Methyl-1-hexene - ≥96% , CAS No.3404-61-3

CAS: 3404-61-3 Cat. No.: M707182 분자식: C₇H₁₄ 분자량: 98.19 Beilstein Registry Number: 1(4)865 EC 번호: 222-283-1

GRADE & PURITY ≥96%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

• Pubchem Sid: 528758981
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758981
• 정식 스마일: CCCC(C)C=C
• IUPAC Name: 3-methylhex-1-ene
• InChIKey: RITONZMLZWYPHW-UHFFFAOYSA-N
• INCHI: 1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3
• 이성체 SMILES: CCCC(C)C=C
• UN 번호: 3295
• 포장 그룹: II
• 분자량: 98.19
• Beilstein: 1(4)865
• Reaxy-Rn: 1733465
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733465&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: 1.39
• 발화점(°C): -18°C(lit.)
• 끓는점(°C): 84°C(lit.)
• 분자량: 98.190 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1