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128119-84-6 | 1,4-Benzenediol, 2,2'-butylidenebis[5-(1,1,3,3-tetramethylbutyl)-
CAS No: 128119-84-6 Catalog No: AG000XSU MDL No:
Product Description
Catalog Number:
AG000XSU
Chemical Name:
1,4-Benzenediol, 2,2'-butylidenebis[5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
128119-84-6
Molecular Formula:
C32H50O4
Molecular Weight:
498.7370
IUPAC Name:
2-[1-[2,5-dihydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]butyl]-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C32H50O4/c1-12-13-20(21-14-27(35)23(16-25(21)33)31(8,9)18-29(2,3)4)22-15-28(36)24(17-26(22)34)32(10,11)19-30(5,6)7/h14-17,20,33-36H,12-13,18-19H2,1-11H3
InChI Key:
VSRFVOGOKPMCRO-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(O)c(cc1O)C(CC(C)(C)C)(C)C)c1cc(O)c(cc1O)C(CC(C)(C)C)(C)C
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.371g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
498.748g/mol
Monoisotopic Mass:
498.371g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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