4-(2,2-Diethoxy-ethoxy)-but-1-ene - ≥90%,stabilized with TBC , CAS No.1343915-25-2

CAS: 1343915-25-2 Cat. No.: D1259697 Formula: C₁₀H₂₀O₃ Peso molecolare: 188.26 PubChem CID: 63628074

GRADE & PURITY ≥90%, stabilized with TBC

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥90%,stabilized with TBC

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%

Nomi e identificatori

Sorrisi canonici

CCOC(COCCC=C)OCC

IUPAC Name

4-(2,2-diethoxyethoxy)but-1-ene

InChIKey

VFWYDSSANGOYJI-UHFFFAOYSA-N

INCHI

1S/C10H20O3/c1-4-7-8-11-9-10(12-5-2)13-6-3/h4,10H,1,5-9H2,2-3H3

Isomeri SMILES

CCOC(COCCC=C)OCC

PubChem CID

63628074

Peso molecolare

188.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 188.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 188.141 Da
• Monoisotopic Mass: 188.141 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 109.000
• 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