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Home Other Building Blocks 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone

2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone

CAS No.:
903-19-5
Catalog Number:
AG003FVU
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>95.0%(GC)
1 week
United States
$95
- +
Product Description
Catalog Number:
AG003FVU
Chemical Name:
2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
CAS Number:
903-19-5
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
MDL Number:
MFCD00128797
IUPAC Name:
2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3
InChI Key:
CLDZVCMRASJQFO-UHFFFAOYSA-N
SMILES:
CC(c1cc(O)c(cc1O)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.287g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
334.544g/mol
Monoisotopic Mass:
334.287g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8  
Literature
Title Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Properties