ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate

C9H18O5Si — CID 21285834

IUPACethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/O[Si](C)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-6-13-9(10)8(2)7-14-15(5,11-3)12-4/h7H,6H2,1-5H3/b8-7+
InChIKeyQDEVWGRDEGKPDX-BQYQJAHWSA-N
MW234.32 g/mol
LogP1.33
Rot. Bonds6

About ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate

ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate (PubChem CID 21285834) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate
PubChem CID21285834
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/O[Si](C)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-6-13-9(10)8(2)7-14-15(5,11-3)12-4/h7H,6H2,1-5H3/b8-7+
InChIKeyQDEVWGRDEGKPDX-BQYQJAHWSA-N
XLogP1.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
CID 57220243
ethyl (E)-2-methyl-3-tris(trimethylsilyloxy)silyloxyprop-2-enoate
CID 88625505
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
bis(3-ethoxy-2-methyl-3-oxoprop-1-enyl) (Z)-but-2-enedioate
CID 174579403
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 2-methyl-3-(2-oxo-3-sulfanylpropoxy)prop-2-enoate
CID 175353840
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
CID 91329650

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate (CID 21285834) is ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/O[Si](C)(OC)OC.
What is the InChIKey of ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate?
The InChIKey is QDEVWGRDEGKPDX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-6-13-9(10)8(2)7-14-15(5,11-3)12-4/h7H,6H2,1-5H3/b8-7+.
What are the key properties of ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate?
ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate has a molecular weight of 234.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate is sourced from PubChem (CID 21285834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).