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

C17H34O4Si2 — CID 6430562

IUPACbis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-12H,13H2,1-10H3/b12-11+
InChIKeyHQWLNJDLXRCOOZ-VAWYXSNFSA-N
MW358.63 g/mol
LogP5.03
Rot. Bonds5

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

bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate (PubChem CID 6430562) has the molecular formula C17H34O4Si2 and a molecular weight of 358.63 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate
PubChem CID6430562
Molecular FormulaC17H34O4Si2
Molecular Weight358.63 g/mol
Exact Mass358.20
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-12H,13H2,1-10H3/b12-11+
InChIKeyHQWLNJDLXRCOOZ-VAWYXSNFSA-N
XLogP5.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.63
LogP ≤ 55.03
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)-pent-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate (CID 6430562) is bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)/C=C/CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate?
The InChIKey is HQWLNJDLXRCOOZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H34O4Si2/c1-16(2,3)22(7,8)20-14(18)12-11-13-15(19)21-23(9,10)17(4,5)6/h11-12H,13H2,1-10H3/b12-11+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-pent-2-enedioate has a molecular weight of 358.63 g/mol, XLogP of 5.03, 5 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)-pent-2-enedioate is sourced from PubChem (CID 6430562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).