diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate

C13H26O5Si — CID 173377315

IUPACdiethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[SiH](C)C)(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-8-16-10(14)13(12(3,4)5,18-19(6)7)11(15)17-9-2/h19H,8-9H2,1-7H3
InChIKeyCCFGLOQKTBUWRU-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.90
Rot. Bonds6

About diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate

diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate (PubChem CID 173377315) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate.

Molecular Properties

Compound Namediethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate
PubChem CID173377315
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namediethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate
SMILESCCOC(=O)C(O[SiH](C)C)(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-8-16-10(14)13(12(3,4)5,18-19(6)7)11(15)17-9-2/h19H,8-9H2,1-7H3
InChIKeyCCFGLOQKTBUWRU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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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Related Compounds

diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-dimethylsilyl-2-fluoropropanoate
CID 154177182
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
ethyl 2,2-diacetyloxy-3,3-dimethylbutanoate
CID 175506846

Frequently Asked Questions

What is the IUPAC name of diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate?
The IUPAC name of diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate (CID 173377315) is diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate.
What is the SMILES notation for diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate?
The canonical SMILES for diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate is CCOC(=O)C(O[SiH](C)C)(C(=O)OCC)C(C)(C)C.
What is the InChIKey of diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate?
The InChIKey is CCFGLOQKTBUWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-8-16-10(14)13(12(3,4)5,18-19(6)7)11(15)17-9-2/h19H,8-9H2,1-7H3.
What are the key properties of diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate?
diethyl 2-tert-butyl-2-dimethylsilyloxypropanedioate has a molecular weight of 290.43 g/mol, XLogP of 1.90, 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-2-dimethylsilyloxypropanedioate is sourced from PubChem (CID 173377315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).