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

C17H34O4Si2 — CID 91752044

IUPACbis[tert-butyl(dimethyl)silyl] (Z)-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-SEYXRHQNSA-N
MW358.63 g/mol
LogP5.03
Rot. Bonds4

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

bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate (PubChem CID 91752044) has the molecular formula C17H34O4Si2 and a molecular weight of 358.63 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate
PubChem CID91752044
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] (Z)-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-SEYXRHQNSA-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

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CID 9878948
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CID 5352676
Methylmaleic acid, bis(trimethylsilyl) ester
CID 5366605
Bis(dimethyl-t-butylsilyl) maleate
CID 5366617
trans-2,3-Dimethylacrylic acid, tert-butyldimethylsilyl ester
CID 13040638
2-Butenoic acid, 2-methyl-, trimethylsilyl ester, (E)-
CID 91722568
Mesaconic acid, bis(tert-butyldimethylsilyl) ester
CID 91741643
Trimethylsilyl 2-methylbut-2-enoate
CID 521630
Bis(trimethylsilyl) 2-methylbut-2-enedioate
CID 522652
Trimethylsilyl (2E)-2-methyl-2-butenoate
CID 5373531
(E)-2-Methyl-2-butenedioic acid bis(trimethylsilyl) ester
CID 12598819

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate (CID 91752044) is bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (Z)-2-methylbut-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (Z)-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] (Z)-2-methylbut-2-enedioate?
The InChIKey is HUKRUXTVYKXRNV-SEYXRHQNSA-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] (Z)-2-methylbut-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (Z)-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] (Z)-2-methylbut-2-enedioate is sourced from PubChem (CID 91752044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).