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139231-91-7 | Cyclotrisiloxane, 2,2,4,4,6,6-hexahexadecyl-
CAS No: 139231-91-7 Catalog No: AG001AJK MDL No:
Product Description
Catalog Number:
AG001AJK
Chemical Name:
Cyclotrisiloxane, 2,2,4,4,6,6-hexahexadecyl-
CAS Number:
139231-91-7
Molecular Formula:
C96H198O3Si3
Molecular Weight:
1484.8540
IUPAC Name:
2,2,4,4,6,6-hexahexadecyl-1,3,5,2,4,6-trioxatrisilinane
InChI:
InChI=1S/C96H198O3Si3/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-100(92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)97-101(93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3,94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)99-102(98-100,95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-96H2,1-6H3
InChI Key:
ITDLDOXHNDXOII-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[Si]1(CCCCCCCCCCCCCCCC)O[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)O[Si](O1)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Properties
Complexity:
1250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1484.468g/mol
Formal Charge:
0
Heavy Atom Count:
102
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1484.892g/mol
Monoisotopic Mass:
1483.465g/mol
Rotatable Bond Count:
90
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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