ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate

C17H34O3Si2 — CID 10831194

IUPACethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C(=C/[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-20-21(5,6)7)14-22(8,9)17(2,3)4/h11-12,14H,10,13H2,1-9H3/b12-11+,15-14-
InChIKeyZIXOEWJRKBDREQ-LTYHPLSISA-N
MW342.63 g/mol
LogP4.93
Rot. Bonds7

About ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate

ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate (PubChem CID 10831194) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate
PubChem CID10831194
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Nameethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate
SMILESCCOC(=O)/C=C/C(=C/[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-20-21(5,6)7)14-22(8,9)17(2,3)4/h11-12,14H,10,13H2,1-9H3/b12-11+,15-14-
InChIKeyZIXOEWJRKBDREQ-LTYHPLSISA-N
XLogP4.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate?
The IUPAC name of ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate (CID 10831194) is ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate is CCOC(=O)/C=C/C(=C/[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate?
The InChIKey is ZIXOEWJRKBDREQ-LTYHPLSISA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-10-19-16(18)12-11-15(13-20-21(5,6)7)14-22(8,9)17(2,3)4/h11-12,14H,10,13H2,1-9H3/b12-11+,15-14-.
What are the key properties of ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate?
ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate has a molecular weight of 342.63 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4Z)-5-[tert-butyl(dimethyl)silyl]-4-(trimethylsilyloxymethyl)penta-2,4-dienoate is sourced from PubChem (CID 10831194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).