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

C12H24O4Si2 — CID 71345714

IUPACdimethyl 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
InChIKeyVIMHCTKPMKRHFR-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.38
Rot. Bonds4

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

dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate (PubChem CID 71345714) has the molecular formula C12H24O4Si2 and a molecular weight of 288.49 g/mol. Its IUPAC name is dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl 2,3-bis(trimethylsilyl)but-2-enedioate
PubChem CID71345714
Molecular FormulaC12H24O4Si2
Molecular Weight288.49 g/mol
Exact Mass288.12
IUPAC Namedimethyl 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
InChIKeyVIMHCTKPMKRHFR-UHFFFAOYSA-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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Related Compounds

3,4-Bis(trimethylsilyl)furan-2,5-dione
CID 14979598
dimethyl (Z)-2,3-bis(dimethylsilyl)but-2-enedioate
CID 92016411
ethyl (E)-3-methyl-2,4-bis(trimethylsilyl)but-2-enoate
CID 145865773
dimethyl (Z)-2,3-bis(trimethylsilyl)but-2-enedioate
CID 15363036
dimethyl (E)-2-trimethylsilylbut-2-enedioate
CID 22895881
Dimethyl 2-trimethylsilylbut-2-enedioate
CID 74006532
bis(trimethylsilylmethyl) (E)-but-2-enedioate
CID 88203527
bis(trimethylsilylmethyl) (Z)-but-2-enedioate
CID 88405817
bis(ethenyl)-methyl-trimethylsilyloxysilane;dimethyl (E)-but-2-enedioate
CID 89581436
bis(ethenyl)-methyl-trimethylsilyloxysilane;dimethyl (Z)-but-2-enedioate
CID 89581570
Bis(ethenyl)-methyl-trimethylsilyloxysilane;dimethyl but-2-enedioate
CID 173510074
methyl (Z)-3-trimethylsilylbut-2-enoate
CID 175176259

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate?
The IUPAC name of dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate (CID 71345714) is dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate.
What is the SMILES notation for dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate?
The canonical SMILES for dimethyl 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 2,3-bis(trimethylsilyl)but-2-enedioate?
The InChIKey is VIMHCTKPMKRHFR-UHFFFAOYSA-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.
What are the key properties of dimethyl 2,3-bis(trimethylsilyl)but-2-enedioate?
dimethyl 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 2,3-bis(trimethylsilyl)but-2-enedioate is sourced from PubChem (CID 71345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).