2-[(ACRYLOYLOXY)METHYL]-2-[[[BIS[3-(ACRYLOYLOXY)-2,2-BIS[(ACRYLOYLOXY)METHYL]PROPOXY](3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SILYL]OXY]METHYL]PROPANE-1,3-DIYL DIACRYLATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60241210

Structure

InChI Key BNJYLQUDLJSQIH-UHFFFAOYSA-N
Smiles O=C(OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C
InChI
InChI=1/C50H55F13O21Si/c1-10-33(64)73-21-42(22-74-34(65)11-2,23-75-35(66)12-3)30-82-85(20-19-45(51,52)46(53,54)47(55,56)48(57,58)49(59,60)50(61,62)63,83-31-43(24-76-36(67)13-4,25-77-37(68)14-5)26-78-38(69)15-6)84-32-44(27-79-39(70)16-7,28-80-40(71)17-8)29-81-41(72)18-9/h10-18H,1-9,19-32H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H55F13O21Si
Molecular Weight 1266.28
AlogP 6.63
Hydrogen Bond Acceptor 21.0
Number of Rotational Bond 43.0
Polar Surface Area 264.39
Heavy Atoms 85.0

Cross References

Resources Reference
CAS NUMBER 94237-13-5
NORMAN SUSDAT
PubChem 44147948
CONTENTS