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Home Other Building Blocks 2,5-Di-tert-pentylbenzene-1,4-diol

2,5-Di-tert-pentylbenzene-1,4-diol

CAS No.:
79-74-3
Catalog Number:
AG003G14
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$148
- +
500g
>93.0%(GC)
1 week
United States
$375
- +
Product Description
Catalog Number:
AG003G14
Chemical Name:
2,5-Di-tert-pentylbenzene-1,4-diol
CAS Number:
79-74-3
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
MDL Number:
MFCD00027029
IUPAC Name:
2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
InChI Key:
CZNRFEXEPBITDS-UHFFFAOYSA-N
SMILES:
CCC(c1cc(O)c(cc1O)C(CC)(C)C)(C)C
EC Number:
201-222-2
UNII:
19O4J76TTK
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase. Bioorganic & medicinal chemistry 20090915
Bond dissociation enthalpies of polyphenols: the importance of cooperative effects. The Journal of organic chemistry 20020208
Properties