Diallyl 1,4-Cyclohexanedicarboxylate(cis- and trans- mixture)
Product Information
Molecular Formula
C14H20O4
Molecular Weight
252.31
Description
Diallyl 1,4-Cyclohexanedicarboxylate (cis- and trans- mixture) is a biomedicine compound used to develop various disease drugs. It exhibits potential pharmacological activities such as antimicrobial, antioxidant, and anti-inflammatory properties. This product can be employed in the synthesis of novel drug formulations aiming to combat infections or oxidative stress-related disorders. Its versatile nature makes it a valuable component in biomedicine research and development.
Synonyms
1,4-Cyclohexanedicarboxylic Acid Diallyl Ester
IUPAC Name
bis(prop-2-enyl) cyclohexane-1,4-dicarboxylate
SMILES
C=CCOC(=O)C1CCC(CC1)C(=O)OCC=C
InChI
InChI=1S/C14H20O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h3-4,11-12H,1-2,5-10H2
InChI Key
ZXTPJLLIHIDBKQ-UHFFFAOYSA-N
Purity
>98.0%(GC)
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
1.4730 to 1.4770
Computed Properties
XLogP3
2.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
252.13615911 g/mol
Monoisotopic Mass
252.13615911 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
282
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
