diethyl 2-trimethylsilyloxybutanedioate

C11H22O5Si — CID 88550777

IUPACdiethyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C11H22O5Si/c1-6-14-10(12)8-9(11(13)15-7-2)16-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyVDPONVOUTCLNCN-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.72
Rot. Bonds7

About diethyl 2-trimethylsilyloxybutanedioate

diethyl 2-trimethylsilyloxybutanedioate (PubChem CID 88550777) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is diethyl 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namediethyl 2-trimethylsilyloxybutanedioate
PubChem CID88550777
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Namediethyl 2-trimethylsilyloxybutanedioate
SMILESCCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C11H22O5Si/c1-6-14-10(12)8-9(11(13)15-7-2)16-17(3,4)5/h9H,6-8H2,1-5H3
InChIKeyVDPONVOUTCLNCN-UHFFFAOYSA-N
XLogP1.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-trimethylsilyloxybutanedioate?
The IUPAC name of diethyl 2-trimethylsilyloxybutanedioate (CID 88550777) is diethyl 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for diethyl 2-trimethylsilyloxybutanedioate?
The canonical SMILES for diethyl 2-trimethylsilyloxybutanedioate is CCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-trimethylsilyloxybutanedioate?
The InChIKey is VDPONVOUTCLNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-6-14-10(12)8-9(11(13)15-7-2)16-17(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of diethyl 2-trimethylsilyloxybutanedioate?
diethyl 2-trimethylsilyloxybutanedioate has a molecular weight of 262.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 88550777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).