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Home > Other Heterocycles > 28946-98-7
28946-98-7 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(octylthio)propyl]-
CAS No: 28946-98-7 Catalog No: AG002X4S MDL No:
Product Description
Catalog Number:
AG002X4S
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-bis[2-(octylthio)propyl]-
CAS Number:
28946-98-7
Molecular Formula:
C29H56O4S2
Molecular Weight:
532.8825
IUPAC Name:
3,9-bis(2-octylsulfanylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C29H56O4S2/c1-5-7-9-11-13-15-17-34-25(3)19-27-30-21-29(22-31-27)23-32-28(33-24-29)20-26(4)35-18-16-14-12-10-8-6-2/h25-28H,5-24H2,1-4H3
InChI Key:
OTVMESBQTSDYLZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCSC(CC1OCC2(CO1)COC(OC2)CC(SCCCCCCCC)C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.362g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.883g/mol
Monoisotopic Mass:
532.362g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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