bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate

C17H34O4Si2 — CID 91741643

IUPACbis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
SMILESC/C(=C\C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h12H,1-11H3/b13-12+
InChIKeyHUKRUXTVYKXRNV-OUKQBFOZSA-N
MW358.63 g/mol
LogP5.03
Rot. Bonds4

About bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate

bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate (PubChem CID 91741643) has the molecular formula C17H34O4Si2 and a molecular weight of 358.63 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
PubChem CID91741643
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate
SMILESC/C(=C\C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h12H,1-11H3/b13-12+
InChIKeyHUKRUXTVYKXRNV-OUKQBFOZSA-N
XLogP5.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.63
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
CID 11087474
[tert-butyl(dimethyl)silyl] (Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-chloropent-2-enoate
CID 10714716
[tert-butyl(dimethyl)silyl] (2E,4E)-hexa-2,4-dienoate
CID 5374163
2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpenta-2,4-dienoate
CID 11036351
ditert-butyl (E)-2-methylbut-2-enedioate
CID 12721570
[tert-butyl(dimethyl)silyl] propan-2-yl carbonate
CID 155712738
methyl (2Z,4E)-6-bromo-3-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
CID 10925703
[tert-butyl(dimethyl)silyl] (2Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylaminomethylidene)but-3-enoate
CID 134956025
bis[tert-butyl(dimethyl)silyl] hexanedioate
CID 528567
[tert-butyl(dimethyl)silyl] 2-chloroacetate
CID 4279826
dimethyl 2-methylbut-2-enedioate
CID 12045
[tert-butyl(dimethyl)silyl] 2-oxooctanoate
CID 91696537

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate (CID 91741643) is bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate is C/C(=C\C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate?
The InChIKey is HUKRUXTVYKXRNV-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H34O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h12H,1-11H3/b13-12+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate has a molecular weight of 358.63 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] (E)-2-methylbut-2-enedioate is sourced from PubChem (CID 91741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).