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

C16H32O4Si2 — CID 5352676

IUPACbis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H,1-10H3/b12-11+
InChIKeyDDBSDNFXXPFNND-VAWYXSNFSA-N
MW344.60 g/mol
LogP4.64
Rot. Bonds4

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

bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate (PubChem CID 5352676) has the molecular formula C16H32O4Si2 and a molecular weight of 344.60 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate
PubChem CID5352676
Molecular FormulaC16H32O4Si2
Molecular Weight344.60 g/mol
Exact Mass344.18
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H,1-10H3/b12-11+
InChIKeyDDBSDNFXXPFNND-VAWYXSNFSA-N
XLogP4.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 54.64
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 bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate (CID 5352676) is bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)/C=C/C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate?
The InChIKey is DDBSDNFXXPFNND-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H32O4Si2/c1-15(2,3)21(7,8)19-13(17)11-12-14(18)20-22(9,10)16(4,5)6/h11-12H,1-10H3/b12-11+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-but-2-enedioate has a molecular weight of 344.60 g/mol, XLogP of 4.64, 4 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)-but-2-enedioate is sourced from PubChem (CID 5352676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).