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Home > Other Heterocycles > 90179-42-3
90179-42-3 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(dodecylthio)hexyl]-
CAS No: 90179-42-3 Catalog No: AG00H5V9 MDL No:
Product Description
Catalog Number:
AG00H5V9
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(dodecylthio)hexyl]-
CAS Number:
90179-42-3
Molecular Formula:
C43H84O4S2
Molecular Weight:
729.2547
IUPAC Name:
3,9-bis(2-dodecylsulfanylhexyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C43H84O4S2/c1-5-9-13-15-17-19-21-23-25-27-31-48-39(29-11-7-3)33-41-44-35-43(36-45-41)37-46-42(47-38-43)34-40(30-12-8-4)49-32-28-26-24-22-20-18-16-14-10-6-2/h39-42H,5-38H2,1-4H3
InChI Key:
BBWLPUGUFPQEEC-UHFFFAOYSA-N
SMILES:
CCCCC(CC1OCC2(CO1)COC(OC2)CC(SCCCCCCCCCCCC)CCCC)SCCCCCCCCCCCC
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
728.581g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
729.261g/mol
Monoisotopic Mass:
728.581g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
16.5
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