Behenyl Methacrylate - ≥85% , CAS No.16669-27-5

CAS: 16669-27-5 Cat. No.: B770747 분자식: C₂₆H₆₀O₂ 분자량: 394.67  EC 번호: 240-714-1

GRADE & PURITY ≥85%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥85%

보관 조건

Room temperature

배송

Normal

순수함

≥85%

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
• InChIKey: OCDWICPYKQMQSQ-UHFFFAOYSA-N
• INCHI: 1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h2,4-24H2,1,3H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
• 분자량: 394.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

• 끓는점(°C): 70-71°C at 760 mmHg (lit.)
• 분자량: 394.700 g/mol
• XLogP3: 12.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 394.381 Da
• Monoisotopic Mass: 394.381 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 348.000
• 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