bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate

C17H36O4Si2 — CID 528584

IUPACbis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3
InChIKeyRMDDLEXHNWAQGQ-UHFFFAOYSA-N
MW360.64 g/mol
LogP5.11
Rot. Bonds5

About bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate

bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate (PubChem CID 528584) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate
PubChem CID528584
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate
SMILESCC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3
InChIKeyRMDDLEXHNWAQGQ-UHFFFAOYSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.64
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate (CID 528584) is bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate is CC(CC(=O)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] 2-methylbutanedioate?
The InChIKey is RMDDLEXHNWAQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-13(15(19)21-23(10,11)17(5,6)7)12-14(18)20-22(8,9)16(2,3)4/h13H,12H2,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate?
bis[tert-butyl(dimethyl)silyl] 2-methylbutanedioate has a molecular weight of 360.64 g/mol, XLogP of 5.11, 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] 2-methylbutanedioate is sourced from PubChem (CID 528584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).