Neophytadiene - Moligand™, ≥90% , CAS No.504-96-1

CAS: 504-96-1 Cat. No.: N348031 Fórmula: C₂₀H₃₈ Peso molecular: 278.52

GRADE & PURITY Moligand™, ≥90%

Synonyms

2-(4,8,12-Trimethyltridecyl)-1,3-butadiene | 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene | Q67880018 | 7,11,15-Trimethyl-3-methylene-1-hexadecene | UNII-HL3QFB56FB | FT-0672681 | HSDB 4321 | HY-N8534 | 2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB] | NI

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Neophytadiene is an enzyme inhibitor. This product contains up to 15% hexanes and up to 5% of the analogous dimer by NMR.

Specifications

Sinónimos

2-(4,8,12-Trimethyltridecyl)-1,3-butadiene | 2-(4,8,12-Trimethyltridecyl)buta-1,3-diene | Q67880018 | 7,11,15-Trimethyl-3-methylene-1-hexadecene | UNII-HL3QFB56FB | FT-0672681 | HSDB 4321 | HY-N8534 | 2-(4,8,12-TRIMETHYLTRIDECYL)BUTA-1,3-DIENE [HSDB] | NI

Especificações e pureza

Moligand™, ≥90%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

504751949

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751949

Sorrisos canónicos

CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C

IUPAC Name

7,11,15-trimethyl-3-methylidenehexadec-1-ene

InChIKey

NIDGCIPAMWNKOA-UHFFFAOYSA-N

INCHI

1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17,19-20H,1,4,8-16H2,2-3,5-6H3

SMILES isoméricas

CC(C)CCCC(C)CCCC(C)CCCC(=C)C=C

Peso molecular

278.52

Reaxy-Rn

1772673

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1772673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Branched unsaturated hydrocarbons Alkadienes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Branched unsaturated hydrocarbon - Alkadiene - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Acyclic olefin - Hydrocarbon - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in chloroform, dichloromethane, ether and hexanes.
• Sensibilidade: Light and haet sensitive
• Peso molecular: 278.500 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 278.297 Da
• Monoisotopic Mass: 278.297 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1