bis(trimethylsilyl) (E)-2-methylpent-2-enedioate

C12H24O4Si2 — CID 5353249

IUPACbis(trimethylsilyl) (E)-2-methylpent-2-enedioate
SMILESC/C(=C\CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-10(12(14)16-18(5,6)7)8-9-11(13)15-17(2,3)4/h8H,9H2,1-7H3/b10-8+
InChIKeyLVVVFIKBESNWRW-CSKARUKUSA-N
MW288.49 g/mol
LogP3.08
Rot. Bonds5

About bis(trimethylsilyl) (E)-2-methylpent-2-enedioate

bis(trimethylsilyl) (E)-2-methylpent-2-enedioate (PubChem CID 5353249) has the molecular formula C12H24O4Si2 and a molecular weight of 288.49 g/mol. Its IUPAC name is bis(trimethylsilyl) (E)-2-methylpent-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (E)-2-methylpent-2-enedioate
PubChem CID5353249
Molecular FormulaC12H24O4Si2
Molecular Weight288.49 g/mol
Exact Mass288.12
IUPAC Namebis(trimethylsilyl) (E)-2-methylpent-2-enedioate
SMILESC/C(=C\CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-10(12(14)16-18(5,6)7)8-9-11(13)15-17(2,3)4/h8H,9H2,1-7H3/b10-8+
InChIKeyLVVVFIKBESNWRW-CSKARUKUSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 53.08
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
Methylmaleic acid, bis(trimethylsilyl) ester
CID 5366605
Trimethoxylsilyl propylmethacrylate
CID 57255707
2-Hexenedioic acid, bis(trimethylsilyl) ester, (E)-
CID 5366447
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
(E)-Trimethylsilyl 3,7-dimethylocta-2,6-dienoate
CID 91694878
1,2,3-Tris(trimethylsilyl) 1-propene-1,2,3-tricarboxylate
CID 521697
Bis(trimethylsilyl) 2-methylbut-2-enedioate
CID 522652

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) (E)-2-methylpent-2-enedioate?
The IUPAC name of bis(trimethylsilyl) (E)-2-methylpent-2-enedioate (CID 5353249) is bis(trimethylsilyl) (E)-2-methylpent-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) (E)-2-methylpent-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) (E)-2-methylpent-2-enedioate is C/C(=C\CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (E)-2-methylpent-2-enedioate?
The InChIKey is LVVVFIKBESNWRW-CSKARUKUSA-N. The full InChI is InChI=1S/C12H24O4Si2/c1-10(12(14)16-18(5,6)7)8-9-11(13)15-17(2,3)4/h8H,9H2,1-7H3/b10-8+.
What are the key properties of bis(trimethylsilyl) (E)-2-methylpent-2-enedioate?
bis(trimethylsilyl) (E)-2-methylpent-2-enedioate has a molecular weight of 288.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (E)-2-methylpent-2-enedioate is sourced from PubChem (CID 5353249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).