ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione

C28H34F6O8Si — CID 159208931

IUPACethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione
SMILESC=C(C)C(=O)OC(F)(F)C(F)CC(F)(F)F.C=C[Si](OCC)(OCC)OCC.O=C1C=C(C=Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H8O3.C8H8F6O2.C8H18O3Si/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;1-4(2)6(15)16-8(13,14)5(9)3-7(10,11)12;1-5-9-12(8-4,10-6-2)11-7-3/h1-8H;5H,1,3H2,2H3;8H,4-7H2,1-3H3
InChIKeyKQFXGTINRPYYDG-UHFFFAOYSA-N
MW640.65 g/mol
LogP6.46
Rot. Bonds13

About ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione

ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione (PubChem CID 159208931) has the molecular formula C28H34F6O8Si and a molecular weight of 640.65 g/mol. Its IUPAC name is ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione.

Molecular Properties

Compound Nameethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione
PubChem CID159208931
Molecular FormulaC28H34F6O8Si
Molecular Weight640.65 g/mol
Exact Mass640.19
IUPAC Nameethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione
SMILESC=C(C)C(=O)OC(F)(F)C(F)CC(F)(F)F.C=C[Si](OCC)(OCC)OCC.O=C1C=C(C=Cc2ccccc2)C(=O)O1
InChIInChI=1S/C12H8O3.C8H8F6O2.C8H18O3Si/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;1-4(2)6(15)16-8(13,14)5(9)3-7(10,11)12;1-5-9-12(8-4,10-6-2)11-7-3/h1-8H;5H,1,3H2,2H3;8H,4-7H2,1-3H3
InChIKeyKQFXGTINRPYYDG-UHFFFAOYSA-N
XLogP6.46
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.65
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione?
The IUPAC name of ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione (CID 159208931) is ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione.
What is the SMILES notation for ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione?
The canonical SMILES for ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione is C=C(C)C(=O)OC(F)(F)C(F)CC(F)(F)F.C=C[Si](OCC)(OCC)OCC.O=C1C=C(C=Cc2ccccc2)C(=O)O1.
What is the InChIKey of ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione?
The InChIKey is KQFXGTINRPYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3.C8H8F6O2.C8H18O3Si/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9;1-4(2)6(15)16-8(13,14)5(9)3-7(10,11)12;1-5-9-12(8-4,10-6-2)11-7-3/h1-8H;5H,1,3H2,2H3;8H,4-7H2,1-3H3.
What are the key properties of ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione?
ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione has a molecular weight of 640.65 g/mol, XLogP of 6.46, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(triethoxy)silane;1,1,2,4,4,4-hexafluorobutyl 2-methylprop-2-enoate;3-(2-phenylethenyl)furan-2,5-dione is sourced from PubChem (CID 159208931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).