prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate

C23H42O8Si2 — CID 159399182

IUPACprop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC.C=CC(=O)OCCC[Si](OC)(OC)OC.CO[Si](CCc1ccccc1)(OC)OC
InChIInChI=1S/C11H18O3Si.C9H18O5Si.C3H6/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-3-2/h4-8H,9-10H2,1-3H3;5H,1,6-8H2,2-4H3;3H,1H2,2H3
InChIKeyLNCUEZLYZQTVKB-UHFFFAOYSA-N
MW502.75 g/mol
LogP4.28
Rot. Bonds14

About prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate

prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate (PubChem CID 159399182) has the molecular formula C23H42O8Si2 and a molecular weight of 502.75 g/mol. Its IUPAC name is prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Nameprop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
PubChem CID159399182
Molecular FormulaC23H42O8Si2
Molecular Weight502.75 g/mol
Exact Mass502.24
IUPAC Nameprop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC.C=CC(=O)OCCC[Si](OC)(OC)OC.CO[Si](CCc1ccccc1)(OC)OC
InChIInChI=1S/C11H18O3Si.C9H18O5Si.C3H6/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-3-2/h4-8H,9-10H2,1-3H3;5H,1,6-8H2,2-4H3;3H,1H2,2H3
InChIKeyLNCUEZLYZQTVKB-UHFFFAOYSA-N
XLogP4.28
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.75
LogP ≤ 54.28
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
benzyl prop-2-enoate;ethyl(trimethoxy)silane
CID 174910420
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate
CID 58085407
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
3-tris[[ethenyl(dimethoxy)silyl]oxy]silylpropyl prop-2-enoate
CID 142752557

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate?
The IUPAC name of prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate (CID 159399182) is prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate.
What is the SMILES notation for prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate?
The canonical SMILES for prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate is C=CC.C=CC(=O)OCCC[Si](OC)(OC)OC.CO[Si](CCc1ccccc1)(OC)OC.
What is the InChIKey of prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate?
The InChIKey is LNCUEZLYZQTVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si.C9H18O5Si.C3H6/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-3-2/h4-8H,9-10H2,1-3H3;5H,1,6-8H2,2-4H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate?
prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate has a molecular weight of 502.75 g/mol, XLogP of 4.28, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 159399182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).