dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate

C12H24O4Si2 — CID 15363035

IUPACdimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate
SMILESCOC(=O)/C(=C(/C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h1-8H3/b10-9+
InChIKeyVIMHCTKPMKRHFR-MDZDMXLPSA-N
MW288.49 g/mol
LogP2.38
Rot. Bonds4

About dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate

dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate (PubChem CID 15363035) has the molecular formula C12H24O4Si2 and a molecular weight of 288.49 g/mol. Its IUPAC name is dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate
PubChem CID15363035
Molecular FormulaC12H24O4Si2
Molecular Weight288.49 g/mol
Exact Mass288.12
IUPAC Namedimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate
SMILESCOC(=O)/C(=C(/C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h1-8H3/b10-9+
InChIKeyVIMHCTKPMKRHFR-MDZDMXLPSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate?
The IUPAC name of dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate (CID 15363035) is dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate?
The canonical SMILES for dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate is COC(=O)/C(=C(/C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate?
The InChIKey is VIMHCTKPMKRHFR-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H24O4Si2/c1-15-11(13)9(17(3,4)5)10(12(14)16-2)18(6,7)8/h1-8H3/b10-9+.
What are the key properties of dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate?
dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate has a molecular weight of 288.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2,3-bis(trimethylsilyl)but-2-enedioate is sourced from PubChem (CID 15363035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).