ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate

C17H26O3Si — CID 10494896

IUPACethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
SMILESCCOC(=O)C(/C=C/c1ccccc1)[Si](C)(C)OC(C)C
InChIInChI=1S/C17H26O3Si/c1-6-19-17(18)16(21(4,5)20-14(2)3)13-12-15-10-8-7-9-11-15/h7-14,16H,6H2,1-5H3/b13-12+
InChIKeyFKKGWTBICCUXMK-OUKQBFOZSA-N
MW306.48 g/mol
LogP4.26
Rot. Bonds7

About ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate

ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate (PubChem CID 10494896) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
PubChem CID10494896
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Nameethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate
SMILESCCOC(=O)C(/C=C/c1ccccc1)[Si](C)(C)OC(C)C
InChIInChI=1S/C17H26O3Si/c1-6-19-17(18)16(21(4,5)20-14(2)3)13-12-15-10-8-7-9-11-15/h7-14,16H,6H2,1-5H3/b13-12+
InChIKeyFKKGWTBICCUXMK-OUKQBFOZSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
ethyl (E,2R,3S)-2-benzyl-3-methyl-5-phenylpent-4-enoate
CID 134973992
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654
ethyl (E,2R,3S)-2-diethoxyphosphoryl-3-methyl-5-phenylpent-4-enoate
CID 101469617
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (E,3S,4R)-3-acetyloxy-4-methyl-6-phenylhex-5-enoate
CID 11392142
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
ethyl (E,2R,3R)-2-acetyl-2-fluoro-3-methyl-5-phenylpent-4-enoate
CID 102471768
ethyl N-[(E)-4-nitro-1-phenylpent-1-en-3-yl]carbamate
CID 146187249
[(1Z,3E)-2-ethoxy-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 134993692

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate?
The IUPAC name of ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate (CID 10494896) is ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate.
What is the SMILES notation for ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate?
The canonical SMILES for ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate is CCOC(=O)C(/C=C/c1ccccc1)[Si](C)(C)OC(C)C.
What is the InChIKey of ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate?
The InChIKey is FKKGWTBICCUXMK-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-6-19-17(18)16(21(4,5)20-14(2)3)13-12-15-10-8-7-9-11-15/h7-14,16H,6H2,1-5H3/b13-12+.
What are the key properties of ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate?
ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate has a molecular weight of 306.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[dimethyl(propan-2-yloxy)silyl]-4-phenylbut-3-enoate is sourced from PubChem (CID 10494896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).