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116377-97-0 | Phenol, 4,4'-(2-ethyl-2-butenylidene)bis[2-(1,1-dimethylethyl)-5-methyl-
CAS No: 116377-97-0 Catalog No: AG000CCH MDL No:
Product Description
Catalog Number:
AG000CCH
Chemical Name:
Phenol, 4,4'-(2-ethyl-2-butenylidene)bis[2-(1,1-dimethylethyl)-5-methyl-
CAS Number:
116377-97-0
Molecular Formula:
C28H40O2
Molecular Weight:
408.6160
IUPAC Name:
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-2-ethylbut-2-enyl]-5-methylphenol
InChI:
InChI=1S/C28H40O2/c1-11-19(12-2)26(20-15-22(27(5,6)7)24(29)13-17(20)3)21-16-23(28(8,9)10)25(30)14-18(21)4/h11,13-16,26,29-30H,12H2,1-10H3
InChI Key:
RRLYOTPNOVRJPV-UHFFFAOYSA-N
SMILES:
CCC(=CC)C(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.303g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.626g/mol
Monoisotopic Mass:
408.303g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
9.1
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