ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate

C16H26O2Si2 — CID 138983143

IUPACethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26O2Si2/c1-7-18-16(17)15(13-19(2,3)4)20(5,6)14-11-9-8-10-12-14/h8-13H,7H2,1-6H3/b15-13+
InChIKeyNTTDBYFXYNXAHW-FYWRMAATSA-N
MW306.55 g/mol
LogP3.51
Rot. Bonds5

About ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate

ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate (PubChem CID 138983143) has the molecular formula C16H26O2Si2 and a molecular weight of 306.55 g/mol. Its IUPAC name is ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
PubChem CID138983143
Molecular FormulaC16H26O2Si2
Molecular Weight306.55 g/mol
Exact Mass306.15
IUPAC Nameethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
SMILESCCOC(=O)/C(=C\[Si](C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H26O2Si2/c1-7-18-16(17)15(13-19(2,3)4)20(5,6)14-11-9-8-10-12-14/h8-13H,7H2,1-6H3/b15-13+
InChIKeyNTTDBYFXYNXAHW-FYWRMAATSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
1-[dimethyl(phenyl)silyl]butan-1-one
CID 10822186
tetraethyl 4-[dimethyl(phenyl)silyl]pent-1-ene-1,1,5,5-tetracarboxylate
CID 102281471
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 171623839
ethyl 2-bromo-2-triphenylsilylacetate
CID 134832270
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
ethyl 2-oxo-2-phenylacetate
CID 15349
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate?
The IUPAC name of ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate (CID 138983143) is ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate is CCOC(=O)/C(=C\[Si](C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate?
The InChIKey is NTTDBYFXYNXAHW-FYWRMAATSA-N. The full InChI is InChI=1S/C16H26O2Si2/c1-7-18-16(17)15(13-19(2,3)4)20(5,6)14-11-9-8-10-12-14/h8-13H,7H2,1-6H3/b15-13+.
What are the key properties of ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate?
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate has a molecular weight of 306.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate is sourced from PubChem (CID 138983143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).