1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate

C15H24F6O5Si2 — CID 173346718

IUPAC1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10-6-9-24-11(22)7-8-12(23)25-14(18,13(16)17)15(19,20)21/h7-8,13H,6,9-10H2,1-5H3
InChIKeyGFENXNYDRBVXIF-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.57
Rot. Bonds10

About 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate

1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate (PubChem CID 173346718) has the molecular formula C15H24F6O5Si2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate.

Molecular Properties

Compound Name1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
PubChem CID173346718
Molecular FormulaC15H24F6O5Si2
Molecular Weight454.51 g/mol
Exact Mass454.11
IUPAC Name1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
SMILESC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10-6-9-24-11(22)7-8-12(23)25-14(18,13(16)17)15(19,20)21/h7-8,13H,6,9-10H2,1-5H3
InChIKeyGFENXNYDRBVXIF-UHFFFAOYSA-N
XLogP4.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) 1-O-octyl (E)-but-2-enedioate
CID 19766525
bis[3-[dimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilyl]propyl] but-2-enedioate
CID 173321361
1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
CID 19766562
4-O-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluorododecyl) 1-O-[3-[methyl-bis(trimethylsilyloxy)silyl]propyl] but-2-enedioate
CID 54167565
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
4-O-(1,1,2,2,3,3,4,4-octafluoropentyl) 1-O-[tris(trimethylsilyloxy)silylmethyl] but-2-enedioate
CID 54530861
4-oxo-4-(3-trimethylsilylpropoxy)but-2-enoic acid
CID 91126449
(E)-4-[2-cyclohexyl-2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethoxy]-4-oxobut-2-enoic acid
CID 151580287
3-tris[[dimethyl(3,3,3-trifluoropropyl)silyl]oxy]silylpropyl prop-2-enoate
CID 141294200
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602

Frequently Asked Questions

What is the IUPAC name of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate?
The IUPAC name of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate (CID 173346718) is 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate.
What is the SMILES notation for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate?
The canonical SMILES for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate is C[Si](C)(C)O[Si](C)(C)CCCOC(=O)C=CC(=O)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate?
The InChIKey is GFENXNYDRBVXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O5Si2/c1-27(2,3)26-28(4,5)10-6-9-24-11(22)7-8-12(23)25-14(18,13(16)17)15(19,20)21/h7-8,13H,6,9-10H2,1-5H3.
What are the key properties of 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate?
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate has a molecular weight of 454.51 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate is sourced from PubChem (CID 173346718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).