3-(Diethoxymethyl)-2-ethoxyoxolane - ≥98% , CAS No.177940-20-4

CAS: 177940-20-4 Cat. No.: D1367265 Formula: C₁₁H₂₂O₄ Peso molecolare: 218.3 Numero EC: 967-952-5 PubChem CID: 11579424

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCOC1C(CCO1)C(OCC)OCC
• IUPAC Name: 3-(diethoxymethyl)-2-ethoxyoxolane
• InChIKey: DNWIQYGZMJTBKC-UHFFFAOYSA-N
• INCHI: 1S/C11H22O4/c1-4-12-10(13-5-2)9-7-8-15-11(9)14-6-3/h9-11H,4-8H2,1-3H3
• Isomeri SMILES: CCOC1C(CCO1)C(OCC)OCC
• PubChem CID: 11579424
• Peso molecolare: 218.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxolanes
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.
• 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: 218.290 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 218.152 Da
• Monoisotopic Mass: 218.152 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1