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189343-34-8 | Phenol, 2,2'-(1,3-propanediyl)bis[4-(1,1-dimethylethyl)-6-(ethoxymethyl)-
CAS No: 189343-34-8 Catalog No: AG002IBV MDL No:
Product Description
Catalog Number:
AG002IBV
Chemical Name:
Phenol, 2,2'-(1,3-propanediyl)bis[4-(1,1-dimethylethyl)-6-(ethoxymethyl)-
CAS Number:
189343-34-8
Molecular Formula:
C29H44O4
Molecular Weight:
456.6573
IUPAC Name:
4-tert-butyl-2-[3-[5-tert-butyl-3-(ethoxymethyl)-2-hydroxyphenyl]propyl]-6-(ethoxymethyl)phenol
InChI:
InChI=1S/C29H44O4/c1-9-32-18-22-16-24(28(3,4)5)14-20(26(22)30)12-11-13-21-15-25(29(6,7)8)17-23(27(21)31)19-33-10-2/h14-17,30-31H,9-13,18-19H2,1-8H3
InChI Key:
PEINFFNKZARAKT-UHFFFAOYSA-N
SMILES:
CCOCc1cc(cc(c1O)CCCc1cc(cc(c1O)COCC)C(C)(C)C)C(C)(C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.324g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.667g/mol
Monoisotopic Mass:
456.324g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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