diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate

C16H34O6Si2 — CID 139989242

IUPACdiethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H34O6Si2/c1-11-19-13(17)15(3,21-23(5,6)7)16(4,14(18)20-12-2)22-24(8,9)10/h11-12H2,1-10H3
InChIKeyNJDIRSMYSUQYHE-UHFFFAOYSA-N
MW378.61 g/mol
LogP3.33
Rot. Bonds9

About diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate

diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 139989242) has the molecular formula C16H34O6Si2 and a molecular weight of 378.61 g/mol. Its IUPAC name is diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namediethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID139989242
Molecular FormulaC16H34O6Si2
Molecular Weight378.61 g/mol
Exact Mass378.19
IUPAC Namediethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H34O6Si2/c1-11-19-13(17)15(3,21-23(5,6)7)16(4,14(18)20-12-2)22-24(8,9)10/h11-12H2,1-10H3
InChIKeyNJDIRSMYSUQYHE-UHFFFAOYSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 139989242) is diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate is CCOC(=O)C(C)(O[Si](C)(C)C)C(C)(O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is NJDIRSMYSUQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6Si2/c1-11-19-13(17)15(3,21-23(5,6)7)16(4,14(18)20-12-2)22-24(8,9)10/h11-12H2,1-10H3.
What are the key properties of diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate?
diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 378.61 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dimethyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 139989242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).