dimethyl 2-trimethylsilyloxybutanedioate

C9H18O5Si — CID 552624

IUPACdimethyl 2-trimethylsilyloxybutanedioate
SMILESCOC(=O)CC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C9H18O5Si/c1-12-8(10)6-7(9(11)13-2)14-15(3,4)5/h7H,6H2,1-5H3
InChIKeyMMWDFJMVASCTJS-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.94
Rot. Bonds5

About dimethyl 2-trimethylsilyloxybutanedioate

dimethyl 2-trimethylsilyloxybutanedioate (PubChem CID 552624) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is dimethyl 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namedimethyl 2-trimethylsilyloxybutanedioate
PubChem CID552624
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Namedimethyl 2-trimethylsilyloxybutanedioate
SMILESCOC(=O)CC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C9H18O5Si/c1-12-8(10)6-7(9(11)13-2)14-15(3,4)5/h7H,6H2,1-5H3
InChIKeyMMWDFJMVASCTJS-UHFFFAOYSA-N
XLogP0.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.94
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 dimethyl 2-trimethylsilyloxybutanedioate?
The IUPAC name of dimethyl 2-trimethylsilyloxybutanedioate (CID 552624) is dimethyl 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for dimethyl 2-trimethylsilyloxybutanedioate?
The canonical SMILES for dimethyl 2-trimethylsilyloxybutanedioate is COC(=O)CC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-trimethylsilyloxybutanedioate?
The InChIKey is MMWDFJMVASCTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-12-8(10)6-7(9(11)13-2)14-15(3,4)5/h7H,6H2,1-5H3.
What are the key properties of dimethyl 2-trimethylsilyloxybutanedioate?
dimethyl 2-trimethylsilyloxybutanedioate has a molecular weight of 234.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 552624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).