(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid

C25H28O3Si2 — CID 87574675

IUPAC(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(/C)[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3Si2/c1-20(25(26)27)21(2)29(3,4)28-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,1-4H3,(H,26,27)/b21-20+
InChIKeyPIYSYOXSONBNRD-QZQOTICOSA-N
MW432.67 g/mol
LogP3.84
Rot. Bonds7

About (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid

(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid (PubChem CID 87574675) has the molecular formula C25H28O3Si2 and a molecular weight of 432.67 g/mol. Its IUPAC name is (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid
PubChem CID87574675
Molecular FormulaC25H28O3Si2
Molecular Weight432.67 g/mol
Exact Mass432.16
IUPAC Name(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid
SMILESC/C(C(=O)O)=C(/C)[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O3Si2/c1-20(25(26)27)21(2)29(3,4)28-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,1-4H3,(H,26,27)/b21-20+
InChIKeyPIYSYOXSONBNRD-QZQOTICOSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid 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

2-[dimethyl(triphenylsilyloxy)silyl]ethyl-dimethyl-triphenylsilyloxysilane
CID 140828433
chloro-dimethyl-phenylsilane;dimethyl-phenyl-triphenylsilyloxysilane;hydroxy(triphenyl)silane
CID 158640447
hydroxy-methyl-[methyl-(methyl-phenyl-triphenylsilyloxysilyl)oxy-phenylsilyl]oxy-phenylsilane
CID 139767845
tris(3-methylphenyl)-triphenylsilyloxysilane
CID 5140856
2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
CID 5247195
[diphenyl(triphenylsilyloxy)silyl]oxy-[[[[[[diphenyl(triphenylsilyloxy)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 139707283
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
CID 162512141
[dimethyl(phenyl)silyl]oxy-dimethyl-phenylsilane;hydroxy(triphenyl)silane
CID 174793025
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
2-methylprop-2-enoic acid;triethyl-[ethyl-(ethyl-phenyl-triethylsilyloxysilyl)oxy-phenylsilyl]oxysilane
CID 67819917
chloro(trimethyl)silane;hydroxy(triphenyl)silane;trimethyl(trimethylsilylmethyl)silane;trimethyl(triphenylsilyloxy)silane
CID 160759459
triphenyl(silyloxy)silane
CID 123924949

Frequently Asked Questions

What is the IUPAC name of (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid?
The IUPAC name of (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid (CID 87574675) is (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid.
What is the SMILES notation for (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid?
The canonical SMILES for (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid is C/C(C(=O)O)=C(/C)[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid?
The InChIKey is PIYSYOXSONBNRD-QZQOTICOSA-N. The full InChI is InChI=1S/C25H28O3Si2/c1-20(25(26)27)21(2)29(3,4)28-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19H,1-4H3,(H,26,27)/b21-20+.
What are the key properties of (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid?
(E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid has a molecular weight of 432.67 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[dimethyl(triphenylsilyloxy)silyl]-2-methylbut-2-enoic acid is sourced from PubChem (CID 87574675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).