methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate

C15H28O3Si — CID 11108872

IUPACmethyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate
SMILESCOC(=O)/C=C/CCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)14(17)12-10-8-7-9-11-13(16)18-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyLCKWGKFAZHVGNE-PKNBQFBNSA-N
MW284.47 g/mol
LogP3.89
Rot. Bonds7

About methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate

methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate (PubChem CID 11108872) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate.

Molecular Properties

Compound Namemethyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate
PubChem CID11108872
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate
SMILESCOC(=O)/C=C/CCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)14(17)12-10-8-7-9-11-13(16)18-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+
InChIKeyLCKWGKFAZHVGNE-PKNBQFBNSA-N
XLogP3.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
methyl (2E,7Z)-10-trimethylsilylundeca-2,7-dienoate
CID 14617535
methyl (E)-7-[tert-butyl(dimethyl)silyl]-7-oxohept-2-enoate
CID 11119163
ethyl (2E,7Z)-10-trimethylsilyldeca-2,7-dienoate
CID 14617533
methyl (2E,7Z)-9-methyl-10-trimethylsilyldeca-2,7-dienoate
CID 14617537
methyl (E)-6-[tert-butyl(dimethyl)silyl]-6-oxohex-2-enoate
CID 100982418
methyl (2Z)-2-methyl-3-trimethylsilylocta-2,7-dienoate
CID 101207969
ethyl (Z)-9-oxo-2-(trimethylsilylmethyl)non-2-enoate
CID 10085303
ethyl (Z)-8-oxo-2-(trimethylsilylmethyl)oct-2-enoate
CID 11097618
ethyl (Z)-7-oxo-2-(trimethylsilylmethyl)hept-2-enoate
CID 13773631
methyl (2E,5E)-3-prop-2-enyl-7-trimethylsilylhepta-2,5-dienoate
CID 102415961
Ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate
CID 87271842

Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate?
The IUPAC name of methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate (CID 11108872) is methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate.
What is the SMILES notation for methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate?
The canonical SMILES for methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate is COC(=O)/C=C/CCCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate?
The InChIKey is LCKWGKFAZHVGNE-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)14(17)12-10-8-7-9-11-13(16)18-4/h9,11H,7-8,10,12H2,1-6H3/b11-9+.
What are the key properties of methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate?
methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate has a molecular weight of 284.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-[tert-butyl(dimethyl)silyl]-8-oxooct-2-enoate is sourced from PubChem (CID 11108872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).