2-Ethyl-2-methacryloyloxyadamantane (stabilized with MEHQ) - ≥99.5%, Single metal impurity≤10ppb , CAS No.209982-56-9

CAS: 209982-56-9 Cat. No.: E1525283 분자식: C₁₆H₂₄O₂ 분자량: 248.37 EC 번호: 805-827-8

GRADE & PURITY ≥99.5%, Single metal impurity≤10ppb

Synonyms

2-Ethyl-2-adamantyl methacrylate (stabilizedwithMEHQ) | Methacrylic Acid 2-Ethyl-2-adamantyl Ester (stabilized with MEHQ)

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

2-Ethyl-2-adamantyl methacrylate (stabilizedwithMEHQ) | Methacrylic Acid 2-Ethyl-2-adamantyl Ester (stabilized with MEHQ)

사양 및 순도

≥99.5%, Single metal impurity≤10ppb

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥99.5%

이름과 식별자

정식 스마일

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C

IUPAC Name

(2-ethyl-2-adamantyl) 2-methylprop-2-enoate

InChIKey

DCTVCFJTKSQXED-UHFFFAOYSA-N

INCHI

1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3

이성체 SMILES

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C(=C)C

분자량

248.37

Reaxy-Rn

10680648

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10680648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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

• 용해성: Soluble in Methanol
• 감도: Heat Sensitive
• 녹는점(°C): 40 °C
• 분자량: 248.360 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.178 Da
• Monoisotopic Mass: 248.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 355.000
• 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