ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate

C14H20O2Si — CID 134967582

IUPACethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
SMILESC=C(CC(=O)OCC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3
InChIKeyMYTILMCVFCEQCD-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.65
Rot. Bonds5

About ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate

ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate (PubChem CID 134967582) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate.

Molecular Properties

Compound Nameethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
PubChem CID134967582
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Nameethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
SMILESC=C(CC(=O)OCC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3
InChIKeyMYTILMCVFCEQCD-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
CID 135062042
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020
ethyl (Z)-3-[dimethyl(phenyl)silyl]oxy-4-methylhex-3-enoate
CID 146166070
ethyl 2-[2-[dimethyl(phenyl)silyl]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 171623839
CID 6332799
CID 6332799
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
ethyl 3-[dimethyl(phenyl)silyl]-2,4-dimethylpent-3-enoate
CID 134863157
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl 3-[[(1R)-1-phenylethyl]carbamoyl]but-3-enoate
CID 102062178
ethyl 3-oxo-3-(2-prop-1-en-2-ylphenyl)propanoate
CID 11333726

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate?
The IUPAC name of ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate (CID 134967582) is ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate.
What is the SMILES notation for ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate?
The canonical SMILES for ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate is C=C(CC(=O)OCC)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate?
The InChIKey is MYTILMCVFCEQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-5-16-14(15)11-12(2)17(3,4)13-9-7-6-8-10-13/h6-10H,2,5,11H2,1,3-4H3.
What are the key properties of ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate?
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate has a molecular weight of 248.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate is sourced from PubChem (CID 134967582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).