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119189-26-3 | Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy-
CAS No: 119189-26-3 Catalog No: AG000P65 MDL No:
Product Description
Catalog Number:
AG000P65
Chemical Name:
Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-dipropoxy-
CAS Number:
119189-26-3
Molecular Formula:
C30H46O4
Molecular Weight:
470.6838
IUPAC Name:
4-[4-(3,4-dipropoxyphenyl)-2,3-dimethylbutyl]-1,2-dipropoxybenzene
InChI:
InChI=1S/C30H46O4/c1-7-15-31-27-13-11-25(21-29(27)33-17-9-3)19-23(5)24(6)20-26-12-14-28(32-16-8-2)30(22-26)34-18-10-4/h11-14,21-24H,7-10,15-20H2,1-6H3
InChI Key:
WPMPELWLRQEGOR-UHFFFAOYSA-N
SMILES:
CCCOc1cc(ccc1OCCC)CC(C(Cc1ccc(c(c1)OCCC)OCCC)C)C
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.34g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.694g/mol
Monoisotopic Mass:
470.34g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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