2-(2，2-Diethoxyethoxy)-1，1-diethoxyethane - ≥97% , CAS No.56999-16-7

CAS: 56999-16-7 Cat. No.: D695090 분자식: C₁₂H₂₆O₅ 분자량: 250.33 EC 번호: 260-505-9 PubChem CID: 92620

GRADE & PURITY ≥97%

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528754971
• 정식 스마일: CCOC(COCC(OCC)OCC)OCC
• IUPAC Name: 2-(2,2-diethoxyethoxy)-1,1-diethoxyethane
• InChIKey: ISSXEHJFYXCGSK-UHFFFAOYSA-N
• INCHI: 1S/C12H26O5/c1-5-14-11(15-6-2)9-13-10-12(16-7-3)17-8-4/h11-12H,5-10H2,1-4H3
• 이성체 SMILES: CCOC(COCC(OCC)OCC)OCC
• PubChem CID: 92620
• 분자량: 250.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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

• 분자량: 250.330 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 250.178 Da
• Monoisotopic Mass: 250.178 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 126.000
• 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