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Home > Other Heterocycles > 28946-82-9
28946-82-9 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(octadecylthio)propyl]-
CAS No: 28946-82-9 Catalog No: AG002X4T MDL No:
Product Description
Catalog Number:
AG002X4T
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(octadecylthio)propyl]-
CAS Number:
28946-82-9
Molecular Formula:
C49H96O4S2
Molecular Weight:
813.4141
IUPAC Name:
3,9-bis(2-octadecylsulfanylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C49H96O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-54-45(3)39-47-50-41-49(42-51-47)43-52-48(53-44-49)40-46(4)55-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-48H,5-44H2,1-4H3
InChI Key:
GPGOYJCQMQUQQT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSC(CC1OCC2(CO1)COC(OC2)CC(SCCCCCCCCCCCCCCCCCC)C)C
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
812.675g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
813.423g/mol
Monoisotopic Mass:
812.675g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
20.2
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