3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate

C13H24O6Si — CID 154483338

IUPAC3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(=O)C(OCC)OCC
InChIInChI=1S/C13H24O6Si/c1-5-16-13(17-6-2)12(15)19-20-9-7-8-18-11(14)10(3)4/h13H,3,5-9,20H2,1-2,4H3
InChIKeyHCXRHEKQSITQCJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.94
Rot. Bonds11

About 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate

3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate (PubChem CID 154483338) has the molecular formula C13H24O6Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate
PubChem CID154483338
Molecular FormulaC13H24O6Si
Molecular Weight304.42 g/mol
Exact Mass304.13
IUPAC Name3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[SiH2]OC(=O)C(OCC)OCC
InChIInChI=1S/C13H24O6Si/c1-5-16-13(17-6-2)12(15)19-20-9-7-8-18-11(14)10(3)4/h13H,3,5-9,20H2,1-2,4H3
InChIKeyHCXRHEKQSITQCJ-UHFFFAOYSA-N
XLogP0.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-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

3-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
5,5-diethoxypentyl 2-methylprop-2-enoate
CID 123206494
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethyl 2-methylprop-2-enoate
CID 130475774
3-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxysilylpropyl 2-methylprop-2-enoate
CID 123158447
3-(1,1-dimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 173117468
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
3-(2,2,2-trimethoxyethoxysilyl)propyl 2-methylprop-2-enoate
CID 154116228
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate (CID 154483338) is 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[SiH2]OC(=O)C(OCC)OCC.
What is the InChIKey of 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is HCXRHEKQSITQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6Si/c1-5-16-13(17-6-2)12(15)19-20-9-7-8-18-11(14)10(3)4/h13H,3,5-9,20H2,1-2,4H3.
What are the key properties of 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate?
3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 304.42 g/mol, XLogP of 0.94, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyacetyl)oxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 154483338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).