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

C15H24F6O5Si2 — CID 19766562

IUPAC1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
SMILESCCC(OC(=O)/C=C/C(=O)OC(F)(C(F)F)C(F)(F)F)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H24F6O5Si2/c1-7-12(28(5,6)26-27(2,3)4)24-10(22)8-9-11(23)25-14(18,13(16)17)15(19,20)21/h8-9,12-13H,7H2,1-6H3/b9-8+
InChIKeyBFWOSCYGYSXJBJ-CMDGGOBGSA-N
MW454.51 g/mol
LogP4.50
Rot. Bonds9

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

1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate (PubChem CID 19766562) has the molecular formula C15H24F6O5Si2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate.

Molecular Properties

Compound Name1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
PubChem CID19766562
Molecular FormulaC15H24F6O5Si2
Molecular Weight454.51 g/mol
Exact Mass454.11
IUPAC Name1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate
SMILESCCC(OC(=O)/C=C/C(=O)OC(F)(C(F)F)C(F)(F)F)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H24F6O5Si2/c1-7-12(28(5,6)26-27(2,3)4)24-10(22)8-9-11(23)25-14(18,13(16)17)15(19,20)21/h8-9,12-13H,7H2,1-6H3/b9-8+
InChIKeyBFWOSCYGYSXJBJ-CMDGGOBGSA-N
XLogP4.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) but-2-enedioate
CID 173346718
1-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 4-O-(1,1,2,2,3,3,4,4-octafluoropentyl) (E)-but-2-enedioate
CID 19766558
4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) 1-O-octyl (E)-but-2-enedioate
CID 19766525
4-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 1-O-[1-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 173346817
bis(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-nonadecafluoro-2-methyldodecan-3-yl) (E)-but-2-enedioate
CID 87227858
1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate
CID 173346870
4-(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluoro-2-methyldecan-3-yl)oxy-4-oxobut-2-enoic acid
CID 173354710
4-O-(1,1,2,2,3,3,4,4-octafluoropentyl) 1-O-[tris(trimethylsilyloxy)silylmethyl] but-2-enedioate
CID 54530861
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
1-tris[[dimethyl(trimethylsilyl)silyl]oxy]silylpropyl (E)-but-2-enoate
CID 176899209
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
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
CID 87970448

Frequently Asked Questions

What is the IUPAC name of 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate?
The IUPAC name of 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate (CID 19766562) is 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate.
What is the SMILES notation for 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate?
The canonical SMILES for 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate is CCC(OC(=O)/C=C/C(=O)OC(F)(C(F)F)C(F)(F)F)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate?
The InChIKey is BFWOSCYGYSXJBJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H24F6O5Si2/c1-7-12(28(5,6)26-27(2,3)4)24-10(22)8-9-11(23)25-14(18,13(16)17)15(19,20)21/h8-9,12-13H,7H2,1-6H3/b9-8+.
What are the key properties of 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate?
1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate has a molecular weight of 454.51 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[1-[dimethyl(trimethylsilyloxy)silyl]propyl] 4-O-(1,1,1,2,3,3-hexafluoropropan-2-yl) (E)-but-2-enedioate is sourced from PubChem (CID 19766562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).