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

CAS: 3404-61-3 Cat. No.: M707182 分子式: C₇H₁₄ 分子量: 98.19 Beilstein Registry Number: 1(4)865 EC番号: 222-283-1

GRADE & PURITY ≥96%

Storage

Room temperature

Shipped In

Normal

Specifications

仕様と純度

≥96%

保管条件

Room temperature

入荷

Normal

純度

≥96%

名前と識別子

パブケム・シド

528758981

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528758981

カノニカル・スマイル

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

異性体SMILES

CCCC(C)C=C

UN番号

3295

包装グループ

II

分子量

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
    • 分類 Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.39
• 引火点（°C）: -18°C(lit.)
• 沸点（°C）: 84°C(lit.)
• 分子量: 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