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116311-67-2 | Benzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(hexyloxy)-
CAS No: 116311-67-2 Catalog No: AG000C64 MDL No:
Product Description
Catalog Number:
AG000C64
Chemical Name:
Benzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(hexyloxy)-
CAS Number:
116311-67-2
Molecular Formula:
C28H50O2
Molecular Weight:
418.6954
IUPAC Name:
1,4-dihexoxy-2,5-bis(2-methylbutan-2-yl)benzene
InChI:
InChI=1S/C28H50O2/c1-9-13-15-17-19-29-25-21-24(28(7,8)12-4)26(30-20-18-16-14-10-2)22-23(25)27(5,6)11-3/h21-22H,9-20H2,1-8H3
InChI Key:
PMUIIULTIIEAMB-UHFFFAOYSA-N
SMILES:
CCC(c1cc(OCCCCCC)c(cc1OCCCCCC)C(CC)(C)C)(C)C
Properties
Complexity:
388
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:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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