2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl]-


Chemical Name: 2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl]-
CAS Number: 303-97-9
Product Number: AG007KEV(AGN-PC-0R5Q6C)
Synonyms:
MDL No:
Molecular Formula: C54H82O4
Molecular Weight: 795.2265

Identification/Properties


Computed Properties
Molecular Weight:
795.246g/mol
XLogP3:
17.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
28
Exact Mass:
794.621g/mol
Monoisotopic Mass:
794.621g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
58
Formal Charge:
0
Complexity:
1680
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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