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70544-35-3 | Benzene, 1,4-bis(2-propenyloxy)-2,5-bis(1,1,3,3-tetramethylbutyl)-
CAS No: 70544-35-3 Catalog No: AG005I4F MDL No:
Product Description
Catalog Number:
AG005I4F
Chemical Name:
Benzene, 1,4-bis(2-propenyloxy)-2,5-bis(1,1,3,3-tetramethylbutyl)-
CAS Number:
70544-35-3
Molecular Formula:
C28H46O2
Molecular Weight:
414.6636
IUPAC Name:
1,4-bis(prop-2-enoxy)-2,5-bis(2,4,4-trimethylpentan-2-yl)benzene
InChI:
InChI=1S/C28H46O2/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/h13-14,17-18H,1-2,15-16,19-20H2,3-12H3
InChI Key:
QBVSUFIQUPEOJJ-UHFFFAOYSA-N
SMILES:
C=CCOc1cc(c(cc1C(CC(C)(C)C)(C)C)OCC=C)C(CC(C)(C)C)(C)C
Properties
Complexity:
494
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:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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