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Home > Other Heterocycles > 776324-26-6
776324-26-6 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[4-(1-methylethyl)phenyl]-
CAS No: 776324-26-6 Catalog No: AG005SLU MDL No:
Product Description
Catalog Number:
AG005SLU
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[4-(1-methylethyl)phenyl]-
CAS Number:
776324-26-6
Molecular Formula:
C25H32O4
Molecular Weight:
396.5192
IUPAC Name:
3,9-bis(4-propan-2-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C25H32O4/c1-17(2)19-5-9-21(10-6-19)23-26-13-25(14-27-23)15-28-24(29-16-25)22-11-7-20(8-12-22)18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3
InChI Key:
QNMBXUWOGMIZTG-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C1OCC2(CO1)COC(OC2)c1ccc(cc1)C(C)C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.23g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.527g/mol
Monoisotopic Mass:
396.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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