ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate

C15H26O3Si — CID 11572750

IUPACethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
SMILESCCOC(=O)/C=C(\C)OCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-8-17-14(16)12-13(2)18-10-9-11-19(6,7)15(3,4)5/h12H,8,10H2,1-7H3/b13-12+
InChIKeyJOPJSFAWEGAIQQ-OUKQBFOZSA-N
MW282.46 g/mol
LogP3.52
Rot. Bonds4

About ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate

ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate (PubChem CID 11572750) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
PubChem CID11572750
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Nameethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate
SMILESCCOC(=O)/C=C(\C)OCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-8-17-14(16)12-13(2)18-10-9-11-19(6,7)15(3,4)5/h12H,8,10H2,1-7H3/b13-12+
InChIKeyJOPJSFAWEGAIQQ-OUKQBFOZSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-trimethylsilylethynyl)-2H-furan-5-one
CID 11816216
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
Ethyl (2Z)-3-[(trimethylsilyl)oxy]but-2-enoate
CID 11084906
ethyl 5-trimethylsilyl-(E)-2-penten-4-ynoate
CID 12398706
2-Penten-4-ynoic acid, 3-methyl-5-(trimethylsilyl)-, ethyl ester, (2E)-
CID 15858658
ethyl (Z)-5-trimethylsilylpent-2-en-4-ynoate
CID 135015774
Ethyl (e)-4-((tert-butyldimethylsilyl)oxy)-3-methylbut-2-enoate
CID 11737024
ethyl (E)-3-trimethylsilylbut-2-enoate
CID 13087507
ethyl (E)-4-[tert-butyl(dimethyl)silyl]sulfanyl-3-methoxybut-2-enoate
CID 134995111
ethyl (E)-3-but-2-ynoxybut-2-enoate
CID 135083697
6-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-1,3-diynyl]pyran-2-one
CID 11313054
Ethyl 3-((tert-butyldimethylsilyl)oxy)but-2-enoate
CID 13678189

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate?
The IUPAC name of ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate (CID 11572750) is ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate is CCOC(=O)/C=C(\C)OCC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate?
The InChIKey is JOPJSFAWEGAIQQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-8-17-14(16)12-13(2)18-10-9-11-19(6,7)15(3,4)5/h12H,8,10H2,1-7H3/b13-12+.
What are the key properties of ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate?
ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate has a molecular weight of 282.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-[tert-butyl(dimethyl)silyl]prop-2-ynoxy]but-2-enoate is sourced from PubChem (CID 11572750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).