m-PEG4-(CH2)3-methyl ester - ≥98% , CAS No.1920109-55-2

CAS: 1920109-55-2 Cat. No.: M595710 분자식: C₁₂H₂₄O₆ 분자량: 264.32

등급 & 순도 ≥98%

Synonyms

m-PEG4-CH2-methyl ester

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

m-PEG4-(CH2)3-methyl ester is PEG derivative containing a methyl ester end group. Methyl ester can be hydrolyzed under strong basic condition. The hydrophilic PEG chain increases the solubility of the compound in aqueous media.

사양

동의어

m-PEG4-CH2-methyl ester

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

528773430

정식 스마일

COCCOCCOCCOCCCC(=O)OC

IUPAC Name

methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butanoate

InChIKey

XIAKKRXIAOWIKK-UHFFFAOYSA-N

INCHI

1S/C12H24O6/c1-14-6-7-17-10-11-18-9-8-16-5-3-4-12(13)15-2/h3-11H2,1-2H3

이성체 SMILES

COCCOCCOCCOCCCC(=O)OC

분자량

264.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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 acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

• 감도: Light sensitive；Moisture sensitive
• 분자량: 264.310 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 264.157 Da
• Monoisotopic Mass: 264.157 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 185.000
• 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