bis(trimethylsilyl) 2-methylbut-2-enedioate

C11H22O4Si2 — CID 522652

IUPACbis(trimethylsilyl) 2-methylbut-2-enedioate
SMILESCC(=CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h8H,1-7H3
InChIKeySXLJYBIAHQEULW-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.69
Rot. Bonds4

About bis(trimethylsilyl) 2-methylbut-2-enedioate

bis(trimethylsilyl) 2-methylbut-2-enedioate (PubChem CID 522652) has the molecular formula C11H22O4Si2 and a molecular weight of 274.46 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-methylbut-2-enedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-methylbut-2-enedioate
PubChem CID522652
Molecular FormulaC11H22O4Si2
Molecular Weight274.46 g/mol
Exact Mass274.11
IUPAC Namebis(trimethylsilyl) 2-methylbut-2-enedioate
SMILESCC(=CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h8H,1-7H3
InChIKeySXLJYBIAHQEULW-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.69
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

Bis(trimethylsilyl) maleate
CID 5372912
tert-Butyl(dimethyl)silyl 3-methylbut-2-enoate
CID 13708941
Crotonic acid, 3-methyl-, trimethylsilyl ester
CID 520203
Fumaric acid, bis(trimethylsilyl) ester
CID 5353016
Methylmaleic acid, bis(trimethylsilyl) ester
CID 5366605
Bis(methacryloyloxy)dimethylsilane
CID 23286212
2-Methylglutaconic acid, bis(trimethylsilyl) ester
CID 5353249
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
2-Butenoic acid, tert-butyldimethylsilyl ester
CID 5372687

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-methylbut-2-enedioate?
The IUPAC name of bis(trimethylsilyl) 2-methylbut-2-enedioate (CID 522652) is bis(trimethylsilyl) 2-methylbut-2-enedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-methylbut-2-enedioate?
The canonical SMILES for bis(trimethylsilyl) 2-methylbut-2-enedioate is CC(=CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-methylbut-2-enedioate?
The InChIKey is SXLJYBIAHQEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h8H,1-7H3.
What are the key properties of bis(trimethylsilyl) 2-methylbut-2-enedioate?
bis(trimethylsilyl) 2-methylbut-2-enedioate has a molecular weight of 274.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-methylbut-2-enedioate is sourced from PubChem (CID 522652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).