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68238-91-5 | ethyl(methyl)(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-ylmethyl)sulfonium iodide
CAS No: 68238-91-5 Catalog No: AG005LL9 MDL No:
Product Description
Catalog Number:
AG005LL9
Chemical Name:
ethyl(methyl)(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-ylmethyl)sulfonium iodide
CAS Number:
68238-91-5
Molecular Formula:
C10H22INO3SSi
Molecular Weight:
391.3416
IUPAC Name:
2,3-bis(2-hexyldecanoyloxy)propyl 2-hexyldecanoate
InChI:
InChI=1S/C51H98O6/c1-7-13-19-25-28-34-39-45(37-31-22-16-10-4)49(52)55-43-48(57-51(54)47(41-33-24-18-12-6)42-36-30-27-21-15-9-3)44-56-50(53)46(38-32-23-17-11-5)40-35-29-26-20-14-8-2/h45-48H,7-44H2,1-6H3
InChI Key:
BXDHVEPMDVSCOF-UHFFFAOYSA-N
SMILES:
CC[S+](C[Si]12OCCN(CCO1)CCO2)C.[I-]
EC Number:
269-411-2
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
806.736g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
807.339g/mol
Monoisotopic Mass:
806.736g/mol
Rotatable Bond Count:
47
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
21.5
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