prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate

C15H28O7Si — CID 158718289

IUPACprop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)O.C=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si.C3H4O2/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-2-3(4)5/h5H,1,6-11H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyIJPDBAATEHKHJI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.41
Rot. Bonds12

About prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate (PubChem CID 158718289) has the molecular formula C15H28O7Si and a molecular weight of 348.47 g/mol. Its IUPAC name is prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
PubChem CID158718289
Molecular FormulaC15H28O7Si
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Nameprop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)O.C=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si.C3H4O2/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-2-3(4)5/h5H,1,6-11H2,2-4H3;2H,1H2,(H,4,5)
InChIKeyIJPDBAATEHKHJI-UHFFFAOYSA-N
XLogP2.41
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
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
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate?
The IUPAC name of prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate (CID 158718289) is prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate.
What is the SMILES notation for prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate?
The canonical SMILES for prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate is C=CC(=O)O.C=CC(=O)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate?
The InChIKey is IJPDBAATEHKHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si.C3H4O2/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-2-3(4)5/h5H,1,6-11H2,2-4H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate?
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate has a molecular weight of 348.47 g/mol, XLogP of 2.41, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 158718289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).