4-(Diethoxymethyl)-trans-stilbene - ≥98% , CAS No.381716-24-1

CAS: 381716-24-1 Cat. No.: D154479 Formule: C₁₉H₂₂O₂ Poids moléculaire: 282.38 PubChem CID: 44630302

QUALITÉ & PURETÉ ≥98%

Synonyms

4-Formyl-trans-stilbene Diethyl Acetal

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

4-Formyl-trans-stilbene Diethyl Acetal

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504770440

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770440

Sourires canoniques

CCOC(C1=CC=C(C=C1)C=CC2=CC=CC=C2)OCC

IUPAC Name

1-(diethoxymethyl)-4-[(E)-2-phenylethenyl]benzene

InChIKey

LKUHPNYFNZOTGE-ZHACJKMWSA-N

INCHI

1S/C19H22O2/c1-3-20-19(21-4-2)18-14-12-17(13-15-18)11-10-16-8-6-5-7-9-16/h5-15,19H,3-4H2,1-2H3/b11-10+

Isomères SMILES

CCOC(C1=CC=C(C=C1)/C=C/C2=CC=CC=C2)OCC

PubChem CID

44630302

Poids moléculaire

282.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Benzylethers Styrenes Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Benzylether - Styrene - Benzenoid - Monocyclic benzene moiety - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 86 °C
• Poids moléculaire: 282.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 282.162 Da
• Monoisotopic Mass: 282.162 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 280.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1