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Home > Other Heterocycles > 28980-76-9
28980-76-9 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(dodecylthio)propyl]-
CAS No: 28980-76-9 Catalog No: AG002V2I MDL No:
Product Description
Catalog Number:
AG002V2I
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(dodecylthio)propyl]-
CAS Number:
28980-76-9
Molecular Formula:
C37H72O4S2
Molecular Weight:
645.0952
IUPAC Name:
3,9-bis(2-dodecylsulfanylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C37H72O4S2/c1-5-7-9-11-13-15-17-19-21-23-25-42-33(3)27-35-38-29-37(30-39-35)31-40-36(41-32-37)28-34(4)43-26-24-22-20-18-16-14-12-10-8-6-2/h33-36H,5-32H2,1-4H3
InChI Key:
BSARAMUUUNBUQC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(CC1OCC2(CO1)COC(OC2)CC(SCCCCCCCCCCCC)C)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
644.487g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
645.099g/mol
Monoisotopic Mass:
644.487g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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