3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate

C22H36O8Si2 — CID 164816291

IUPAC3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si]1(C)OCc2cc(OCC[Si](OCC)(OCC)OCC)ccc2O1
InChIInChI=1S/C22H36O8Si2/c1-6-22(23)25-13-10-15-31(5)29-18-19-17-20(11-12-21(19)30-31)24-14-16-32(26-7-2,27-8-3)28-9-4/h6,11-12,17H,1,7-10,13-16,18H2,2-5H3
InChIKeyWFTUAVOATQIIKH-UHFFFAOYSA-N
MW484.69 g/mol
LogP4.21
Rot. Bonds15

About 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate

3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate (PubChem CID 164816291) has the molecular formula C22H36O8Si2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
PubChem CID164816291
Molecular FormulaC22H36O8Si2
Molecular Weight484.69 g/mol
Exact Mass484.19
IUPAC Name3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si]1(C)OCc2cc(OCC[Si](OCC)(OCC)OCC)ccc2O1
InChIInChI=1S/C22H36O8Si2/c1-6-22(23)25-13-10-15-31(5)29-18-19-17-20(11-12-21(19)30-31)24-14-16-32(26-7-2,27-8-3)28-9-4/h6,11-12,17H,1,7-10,13-16,18H2,2-5H3
InChIKeyWFTUAVOATQIIKH-UHFFFAOYSA-N
XLogP4.21
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

Analyze 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate 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

[diacetyloxy-[2-[[2-(chloromethyl)-2-methyl-4H-1,3,2-benzodioxasilin-6-yl]oxy]ethyl]silyl] acetate
CID 164815704
[diacetyloxy-[2-[(2-phenyl-2-prop-2-enyl-4H-1,3,2-benzodioxasilin-6-yl)oxy]ethyl]silyl] acetate
CID 164816429
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate
CID 91151850
4-(3-fluoro-4-methylphenoxy)butyl prop-2-enoate
CID 59747405
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate?
The IUPAC name of 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate (CID 164816291) is 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate.
What is the SMILES notation for 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate?
The canonical SMILES for 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate is C=CC(=O)OCCC[Si]1(C)OCc2cc(OCC[Si](OCC)(OCC)OCC)ccc2O1.
What is the InChIKey of 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate?
The InChIKey is WFTUAVOATQIIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O8Si2/c1-6-22(23)25-13-10-15-31(5)29-18-19-17-20(11-12-21(19)30-31)24-14-16-32(26-7-2,27-8-3)28-9-4/h6,11-12,17H,1,7-10,13-16,18H2,2-5H3.
What are the key properties of 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate?
3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate has a molecular weight of 484.69 g/mol, XLogP of 4.21, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate is sourced from PubChem (CID 164816291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).