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822411-39-2 | Phenol, 4,4'-(1,3-butadiyne-1,4-diyl)bis[2,6-bis(1,1-dimethylethyl)-
CAS No: 822411-39-2 Catalog No: AG00500P MDL No:
Product Description
Catalog Number:
AG00500P
Chemical Name:
Phenol, 4,4'-(1,3-butadiyne-1,4-diyl)bis[2,6-bis(1,1-dimethylethyl)-
CAS Number:
822411-39-2
Molecular Formula:
C32H42O2
Molecular Weight:
458.6747
IUPAC Name:
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)buta-1,3-diynyl]phenol
InChI:
InChI=1S/C32H42O2/c1-29(2,3)23-17-21(18-24(27(23)33)30(4,5)6)15-13-14-16-22-19-25(31(7,8)9)28(34)26(20-22)32(10,11)12/h17-20,33-34H,1-12H3
InChI Key:
XXNGCWIPNOHMCX-UHFFFAOYSA-N
SMILES:
CC(c1cc(C#CC#Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.318g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.686g/mol
Monoisotopic Mass:
458.318g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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