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101-58-6

101-58-6 | Benzene, 1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)- (9CI)

CAS No: 101-58-6 Catalog No: AG0003G5 MDL No:

Product Description

Catalog Number:
AG0003G5
Chemical Name:
Benzene, 1,1'-oxybis[4-(1,1,3,3-tetramethylbutyl)- (9CI)
CAS Number:
101-58-6
Molecular Formula:
C28H42O
Molecular Weight:
394.6325
IUPAC Name:
1-(2,4,4-trimethylpentan-2-yl)-4-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzene
InChI:
InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3
InChI Key:
AJDONJVWDSZZQF-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Oc1ccc(cc1)C(CC(C)(C)C)(C)C)(CC(C)(C)C)C
EC Number:
202-956-6

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.324g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.643g/mol
Monoisotopic Mass:
394.324g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3  

Literature

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Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
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Spectroscopic study on binding behaviors of different structural nonionic surfactants to cyclodextrins. Journal of colloid and interface science 20040615
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