3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate

C17H26O5Si — CID 139977935

IUPAC3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)Oc1ccccc1
InChIInChI=1S/C17H26O5Si/c1-5-20-23(21-6-2,22-16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3
InChIKeySAVVGIXKACELQE-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.59
Rot. Bonds11

About 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate

3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate (PubChem CID 139977935) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
PubChem CID139977935
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OCC)(OCC)Oc1ccccc1
InChIInChI=1S/C17H26O5Si/c1-5-20-23(21-6-2,22-16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3
InChIKeySAVVGIXKACELQE-UHFFFAOYSA-N
XLogP3.59
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[diethoxy(phenoxy)silyl]propyl 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

4-[dimethoxy(phenoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977927
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
2-[dimethoxy(phenoxy)silyl]ethyl 2-methylprop-2-enoate
CID 139977872
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
4-[butoxy(diethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977875
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
3-[diethoxy(pentan-2-yloxy)silyl]propyl 2-methylprop-2-enoate
CID 141157653
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate (CID 139977935) is 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OCC)(OCC)Oc1ccccc1.
What is the InChIKey of 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate?
The InChIKey is SAVVGIXKACELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-5-20-23(21-6-2,22-16-11-8-7-9-12-16)14-10-13-19-17(18)15(3)4/h7-9,11-12H,3,5-6,10,13-14H2,1-2,4H3.
What are the key properties of 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate?
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 338.48 g/mol, XLogP of 3.59, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 139977935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).