bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate

C22H46O5Si3 — CID 91745042

IUPACbis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h16H,1-15H3/b17-16-
InChIKeyKPTKAWGLDFVNBA-MSUUIHNZSA-N
MW474.86 g/mol
LogP6.99
Rot. Bonds6

About bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate

bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate (PubChem CID 91745042) has the molecular formula C22H46O5Si3 and a molecular weight of 474.86 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate
PubChem CID91745042
Molecular FormulaC22H46O5Si3
Molecular Weight474.86 g/mol
Exact Mass474.27
IUPAC Namebis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h16H,1-15H3/b17-16-
InChIKeyKPTKAWGLDFVNBA-MSUUIHNZSA-N
XLogP6.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.86
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate (CID 91745042) is bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)/C=C(\O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate?
The InChIKey is KPTKAWGLDFVNBA-MSUUIHNZSA-N. The full InChI is InChI=1S/C22H46O5Si3/c1-20(2,3)28(10,11)25-17(19(24)27-30(14,15)22(7,8)9)16-18(23)26-29(12,13)21(4,5)6/h16H,1-15H3/b17-16-.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate has a molecular weight of 474.86 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enedioate is sourced from PubChem (CID 91745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).