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132541-63-0 | 3-Pentanone, 1,1'-(2,3,5,6-tetraethyl-1,4-phenylene)bis[4,4-dimethyl-
CAS No: 132541-63-0 Catalog No: AG0010TJ MDL No:
Product Description
Catalog Number:
AG0010TJ
Chemical Name:
3-Pentanone, 1,1'-(2,3,5,6-tetraethyl-1,4-phenylene)bis[4,4-dimethyl-
CAS Number:
132541-63-0
Molecular Formula:
C28H46O2
Molecular Weight:
414.6636
IUPAC Name:
1-[4-(4,4-dimethyl-3-oxopentyl)-2,3,5,6-tetraethylphenyl]-4,4-dimethylpentan-3-one
InChI:
InChI=1S/C28H46O2/c1-11-19-20(12-2)24(16-18-26(30)28(8,9)10)22(14-4)21(13-3)23(19)15-17-25(29)27(5,6)7/h11-18H2,1-10H3
InChI Key:
PTXUYVGWMFXPOH-UHFFFAOYSA-N
SMILES:
CCc1c(CCC(=O)C(C)(C)C)c(CC)c(c(c1CC)CCC(=O)C(C)(C)C)CC
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.35g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.674g/mol
Monoisotopic Mass:
414.35g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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