3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate

C21H42O9Si2 — CID 87188845

IUPAC3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si.C9H18O4Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-11H2,2-4H3;5H,1,6-8H2,2-4H3
InChIKeyAUWODJSSMIFDCO-UHFFFAOYSA-N
MW494.73 g/mol
LogP3.62
Rot. Bonds18

About 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate

3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate (PubChem CID 87188845) has the molecular formula C21H42O9Si2 and a molecular weight of 494.73 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
PubChem CID87188845
Molecular FormulaC21H42O9Si2
Molecular Weight494.73 g/mol
Exact Mass494.24
IUPAC Name3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si.C9H18O4Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-11H2,2-4H3;5H,1,6-8H2,2-4H3
InChIKeyAUWODJSSMIFDCO-UHFFFAOYSA-N
XLogP3.62
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
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
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate (CID 87188845) is 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate is C=CC(=O)OCCC[Si](C)(OC)OC.C=CC(=O)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate?
The InChIKey is AUWODJSSMIFDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si.C9H18O4Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4;1-5-9(10)13-7-6-8-14(4,11-2)12-3/h5H,1,6-11H2,2-4H3;5H,1,6-8H2,2-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate?
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate has a molecular weight of 494.73 g/mol, XLogP of 3.62, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 87188845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).