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132098-47-6 | Benzene, 1,1'-(1,6-hexanediyl)bis[5-(1,1-dimethylethyl)-2-methoxy-
CAS No: 132098-47-6 Catalog No: AG00106L MDL No:
Product Description
Catalog Number:
AG00106L
Chemical Name:
Benzene, 1,1'-(1,6-hexanediyl)bis[5-(1,1-dimethylethyl)-2-methoxy-
CAS Number:
132098-47-6
Molecular Formula:
C28H42O2
Molecular Weight:
410.6319
IUPAC Name:
4-tert-butyl-2-[6-(5-tert-butyl-2-methoxyphenyl)hexyl]-1-methoxybenzene
InChI:
InChI=1S/C28H42O2/c1-27(2,3)23-15-17-25(29-7)21(19-23)13-11-9-10-12-14-22-20-24(28(4,5)6)16-18-26(22)30-8/h15-20H,9-14H2,1-8H3
InChI Key:
CFMKUZHPXICBDP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCCCCCc1cc(ccc1OC)C(C)(C)C)C(C)(C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.318g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.642g/mol
Monoisotopic Mass:
410.318g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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