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

C20H40O4Si2 — CID 6430572

IUPACbis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16-18(22)24-26(9,10)20(4,5)6/h13,15H,11-12,14,16H2,1-10H3/b15-13+
InChIKeyYSXNQIJBQDATNW-FYWRMAATSA-N
MW400.71 g/mol
LogP6.20
Rot. Bonds8

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

bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate (PubChem CID 6430572) has the molecular formula C20H40O4Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate
PubChem CID6430572
Molecular FormulaC20H40O4Si2
Molecular Weight400.71 g/mol
Exact Mass400.25
IUPAC Namebis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16-18(22)24-26(9,10)20(4,5)6/h13,15H,11-12,14,16H2,1-10H3/b15-13+
InChIKeyYSXNQIJBQDATNW-FYWRMAATSA-N
XLogP6.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-oct-2-enedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate (CID 6430572) is bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate is CC(C)(C)[Si](C)(C)OC(=O)/C=C/CCCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate?
The InChIKey is YSXNQIJBQDATNW-FYWRMAATSA-N. The full InChI is InChI=1S/C20H40O4Si2/c1-19(2,3)25(7,8)23-17(21)15-13-11-12-14-16-18(22)24-26(9,10)20(4,5)6/h13,15H,11-12,14,16H2,1-10H3/b15-13+.
What are the key properties of bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate?
bis[tert-butyl(dimethyl)silyl] (E)-oct-2-enedioate has a molecular weight of 400.71 g/mol, XLogP of 6.20, 8 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)-oct-2-enedioate is sourced from PubChem (CID 6430572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).