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127486-72-0 | Benzene, 1,4-dipropoxy-2,5-bis(1,1,3,3-tetramethylbutyl)-
CAS No: 127486-72-0 Catalog No: AG000X3Z MDL No:
Product Description
Catalog Number:
AG000X3Z
Chemical Name:
Benzene, 1,4-dipropoxy-2,5-bis(1,1,3,3-tetramethylbutyl)-
CAS Number:
127486-72-0
Molecular Formula:
C28H50O2
Molecular Weight:
418.6954
IUPAC Name:
1,4-dipropoxy-2,5-bis(2,4,4-trimethylpentan-2-yl)benzene
InChI:
InChI=1S/C28H50O2/c1-13-15-29-23-17-22(28(11,12)20-26(6,7)8)24(30-16-14-2)18-21(23)27(9,10)19-25(3,4)5/h17-18H,13-16,19-20H2,1-12H3
InChI Key:
CNIRHBUNEUAFTD-UHFFFAOYSA-N
SMILES:
CCCOc1cc(c(cc1C(CC(C)(C)C)(C)C)OCCC)C(CC(C)(C)C)(C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.381g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.706g/mol
Monoisotopic Mass:
418.381g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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