3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate

C14H28O7Si — CID 171586982

IUPAC3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCCOCC[Si](OC)(OC)OC
InChIInChI=1S/C14H28O7Si/c1-5-14(15)21-11-7-10-19-8-6-9-20-12-13-22(16-2,17-3)18-4/h5H,1,6-13H2,2-4H3
InChIKeyQPXVJHRIZPLKFA-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.41
Rot. Bonds15

About 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate

3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate (PubChem CID 171586982) has the molecular formula C14H28O7Si and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
PubChem CID171586982
Molecular FormulaC14H28O7Si
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOCCCOCC[Si](OC)(OC)OC
InChIInChI=1S/C14H28O7Si/c1-5-14(15)21-11-7-10-19-8-6-9-20-12-13-22(16-2,17-3)18-4/h5H,1,6-13H2,2-4H3
InChIKeyQPXVJHRIZPLKFA-UHFFFAOYSA-N
XLogP1.41
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[3-(2-trimethoxysilylethoxy)propoxy]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

2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-(3-hydroxypropoxy)propyl prop-2-enoate
CID 54397362
3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 59641461
2-[2-[2-[dimethoxy(methyl)silyl]ethoxy]ethoxy]ethyl prop-2-enoate
CID 171586984
[2-(prop-2-enoyloxymethyl)-3-(3-prop-2-enoyloxypropoxy)propyl] 5-trimethoxysilylpentanoate
CID 158909029
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate?
The IUPAC name of 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate (CID 171586982) is 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate?
The canonical SMILES for 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate is C=CC(=O)OCCCOCCCOCC[Si](OC)(OC)OC.
What is the InChIKey of 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate?
The InChIKey is QPXVJHRIZPLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7Si/c1-5-14(15)21-11-7-10-19-8-6-9-20-12-13-22(16-2,17-3)18-4/h5H,1,6-13H2,2-4H3.
What are the key properties of 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate?
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate has a molecular weight of 336.46 g/mol, XLogP of 1.41, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate is sourced from PubChem (CID 171586982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).