ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate

C21H26O2Si — CID 135062042

IUPACethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
SMILESCCOC(=O)C/C(=C\Cc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-23-21(22)17-20(16-15-18-11-7-5-8-12-18)24(2,3)19-13-9-6-10-14-19/h5-14,16H,4,15,17H2,1-3H3/b20-16+
InChIKeyILZCTWWRQJVTBE-CAPFRKAQSA-N
MW338.52 g/mol
LogP4.26
Rot. Bonds7

About ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate

ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate (PubChem CID 135062042) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
PubChem CID135062042
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Nameethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate
SMILESCCOC(=O)C/C(=C\Cc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-4-23-21(22)17-20(16-15-18-11-7-5-8-12-18)24(2,3)19-13-9-6-10-14-19/h5-14,16H,4,15,17H2,1-3H3/b20-16+
InChIKeyILZCTWWRQJVTBE-CAPFRKAQSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.26
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 (Z)-3-chloro-5-phenylpent-3-enoate
CID 101341488
ethyl 3-[dimethyl(phenyl)silyl]but-3-enoate
CID 134967582
ethyl (E)-3-[dimethyl(phenyl)silyl]pent-2-enoate
CID 135057916
3,3-diethoxyprop-2-enylbenzene
CID 68782187
ethyl 2-phenylacetate
CID 7590
ethyl (E)-2-[dimethyl(phenyl)silyl]-3-trimethylsilylprop-2-enoate
CID 138983143
diethyl (2E)-2-(3-phenylpropylidene)butanedioate
CID 11011721
ethyl 2-phenylacetate;hydrate
CID 141257001
methyl (E)-3-[dimethyl(phenyl)silyl]hept-2-enoate
CID 134861981
methyl (E)-2-methoxy-4-phenylbut-2-enoate
CID 11171761
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl (Z)-3-phenylpent-3-enoate
CID 134988020

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate?
The IUPAC name of ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate (CID 135062042) is ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate.
What is the SMILES notation for ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate?
The canonical SMILES for ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate is CCOC(=O)C/C(=C\Cc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate?
The InChIKey is ILZCTWWRQJVTBE-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-4-23-21(22)17-20(16-15-18-11-7-5-8-12-18)24(2,3)19-13-9-6-10-14-19/h5-14,16H,4,15,17H2,1-3H3/b20-16+.
What are the key properties of ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate?
ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate has a molecular weight of 338.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[dimethyl(phenyl)silyl]-5-phenylpent-3-enoate is sourced from PubChem (CID 135062042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).