diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate

C13H26O5Si — CID 57171865

IUPACdiethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C13H26O5Si/c1-8-16-11(14)10(12(15)17-9-2)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3
InChIKeyKOOZXMUKMUGFRT-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.50
Rot. Bonds6

About diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate

diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate (PubChem CID 57171865) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate.

Molecular Properties

Compound Namediethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate
PubChem CID57171865
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namediethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C13H26O5Si/c1-8-16-11(14)10(12(15)17-9-2)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3
InChIKeyKOOZXMUKMUGFRT-UHFFFAOYSA-N
XLogP2.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate?
The IUPAC name of diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate (CID 57171865) is diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate.
What is the SMILES notation for diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate?
The canonical SMILES for diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate is CCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate?
The InChIKey is KOOZXMUKMUGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-8-16-11(14)10(12(15)17-9-2)18-19(6,7)13(3,4)5/h10H,8-9H2,1-7H3.
What are the key properties of diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate?
diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate has a molecular weight of 290.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[tert-butyl(dimethyl)silyl]oxypropanedioate is sourced from PubChem (CID 57171865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).