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

C18H36O4Si2 — CID 5366778

IUPACbis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate
SMILESC/C(=C\CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-14(16(20)22-24(10,11)18(5,6)7)12-13-15(19)21-23(8,9)17(2,3)4/h12H,13H2,1-11H3/b14-12+
InChIKeyJQQGBAFWUOYVCT-WYMLVPIESA-N
MW372.65 g/mol
LogP5.42
Rot. Bonds5

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

bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate (PubChem CID 5366778) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate
PubChem CID5366778
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate
SMILESC/C(=C\CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O4Si2/c1-14(16(20)22-24(10,11)18(5,6)7)12-13-15(19)21-23(8,9)17(2,3)4/h12H,13H2,1-11H3/b14-12+
InChIKeyJQQGBAFWUOYVCT-WYMLVPIESA-N
XLogP5.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 55.42
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

Aconitic acid, TMS
CID 5366595
1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)-
CID 5352948
2-Methylglutaconic acid, bis(trimethylsilyl) ester
CID 5353249
2-Pentenedioic acid, bis(trimethylsilyl) ester
CID 5366593
3-Methylglutaconic acid, bis(trimethylsilyl) ester
CID 5366596
Aconitic acid, (Z)-, 3TBDMS derivative
CID 5379962
Aconitic acid, (E)-, 3TBDMS derivative
CID 20831117
alpha-Ketoglutaric acid, tert-butyldimethylsilyl ether, bis(tert-butyldimethylsilyl) ester
CID 21160104
Mesaconic acid, bis(tert-butyldimethylsilyl) ester
CID 91741643
1,2,3-Tris(trimethylsilyl) 1-propene-1,2,3-tricarboxylate
CID 521697
3-Methylglutaconic acid, diTBDMS
CID 6430559
Citraconic acid, bis-TBDMS
CID 91752044

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate (CID 5366778) is bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate is C/C(=C\CC(=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-methylpent-2-enedioate?
The InChIKey is JQQGBAFWUOYVCT-WYMLVPIESA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-14(16(20)22-24(10,11)18(5,6)7)12-13-15(19)21-23(8,9)17(2,3)4/h12H,13H2,1-11H3/b14-12+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-2-methylpent-2-enedioate has a molecular weight of 372.65 g/mol, XLogP of 5.42, 5 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-methylpent-2-enedioate is sourced from PubChem (CID 5366778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).