(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid

C19H32F8O6Si3 — CID 173327168

IUPAC(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid
SMILESCC(C)(/C(C(=O)O)=C(/CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O)C(C)(C)C(O[Si](C)(C)C)[SiH2]O[SiH3]
InChIInChI=1S/C19H32F8O6Si3/c1-15(2,16(3,4)14(35-33-34)32-36(5,6)7)10(12(30)31)9(11(28)29)8-17(22,23)19(26,27)18(24,25)13(20)21/h13-14H,8,35H2,1-7,34H3,(H,28,29)(H,30,31)/b10-9-
InChIKeyODEIXDADCRSVDX-KTKRTIGZSA-N
MW592.70 g/mol
LogP3.62
Rot. Bonds14

About (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid

(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid (PubChem CID 173327168) has the molecular formula C19H32F8O6Si3 and a molecular weight of 592.70 g/mol. Its IUPAC name is (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid
PubChem CID173327168
Molecular FormulaC19H32F8O6Si3
Molecular Weight592.70 g/mol
Exact Mass592.14
IUPAC Name(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid
SMILESCC(C)(/C(C(=O)O)=C(/CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O)C(C)(C)C(O[Si](C)(C)C)[SiH2]O[SiH3]
InChIInChI=1S/C19H32F8O6Si3/c1-15(2,16(3,4)14(35-33-34)32-36(5,6)7)10(12(30)31)9(11(28)29)8-17(22,23)19(26,27)18(24,25)13(20)21/h13-14H,8,35H2,1-7,34H3,(H,28,29)(H,30,31)/b10-9-
InChIKeyODEIXDADCRSVDX-KTKRTIGZSA-N
XLogP3.62
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.70
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid?
The IUPAC name of (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid (CID 173327168) is (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid.
What is the SMILES notation for (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid?
The canonical SMILES for (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid is CC(C)(/C(C(=O)O)=C(/CC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)O)C(C)(C)C(O[Si](C)(C)C)[SiH2]O[SiH3].
What is the InChIKey of (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid?
The InChIKey is ODEIXDADCRSVDX-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H32F8O6Si3/c1-15(2,16(3,4)14(35-33-34)32-36(5,6)7)10(12(30)31)9(11(28)29)8-17(22,23)19(26,27)18(24,25)13(20)21/h13-14H,8,35H2,1-7,34H3,(H,28,29)(H,30,31)/b10-9-.
What are the key properties of (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid?
(E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid has a molecular weight of 592.70 g/mol, XLogP of 3.62, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,2,3,3,4,4,5,5-octafluoropentyl)-3-(2,3,3-trimethyl-4-silyloxysilyl-4-trimethylsilyloxybutan-2-yl)but-2-enedioic acid is sourced from PubChem (CID 173327168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).