bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate

C18H38O4Si2 — CID 91752559

IUPACbis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-16(2,3)23(9,10)21-14(19)13-18(7,8)15(20)22-24(11,12)17(4,5)6/h13H2,1-12H3
InChIKeyIUXVNTDYFCZPOF-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.50
Rot. Bonds5

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

bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate (PubChem CID 91752559) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate
PubChem CID91752559
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namebis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate
SMILESCC(C)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-16(2,3)23(9,10)21-14(19)13-18(7,8)15(20)22-24(11,12)17(4,5)6/h13H2,1-12H3
InChIKeyIUXVNTDYFCZPOF-UHFFFAOYSA-N
XLogP5.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.50
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] 2,2-dimethylbutanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate (CID 91752559) is bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate is CC(C)(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] 2,2-dimethylbutanedioate?
The InChIKey is IUXVNTDYFCZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-16(2,3)23(9,10)21-14(19)13-18(7,8)15(20)22-24(11,12)17(4,5)6/h13H2,1-12H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate?
bis[tert-butyl(dimethyl)silyl] 2,2-dimethylbutanedioate has a molecular weight of 374.67 g/mol, XLogP of 5.50, 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] 2,2-dimethylbutanedioate is sourced from PubChem (CID 91752559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).