dimethyl 2-methyl-2-trimethylsilyloxybutanedioate

C10H20O5Si — CID 88549724

IUPACdimethyl 2-methyl-2-trimethylsilyloxybutanedioate
SMILESCOC(=O)CC(C)(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C10H20O5Si/c1-10(9(12)14-3,7-8(11)13-2)15-16(4,5)6/h7H2,1-6H3
InChIKeyYLRMBDGPFYQNKK-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.33
Rot. Bonds5

About dimethyl 2-methyl-2-trimethylsilyloxybutanedioate

dimethyl 2-methyl-2-trimethylsilyloxybutanedioate (PubChem CID 88549724) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is dimethyl 2-methyl-2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namedimethyl 2-methyl-2-trimethylsilyloxybutanedioate
PubChem CID88549724
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Namedimethyl 2-methyl-2-trimethylsilyloxybutanedioate
SMILESCOC(=O)CC(C)(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C10H20O5Si/c1-10(9(12)14-3,7-8(11)13-2)15-16(4,5)6/h7H2,1-6H3
InChIKeyYLRMBDGPFYQNKK-UHFFFAOYSA-N
XLogP1.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.33
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-methyl-2-trimethylsilyloxybutanedioate?
The IUPAC name of dimethyl 2-methyl-2-trimethylsilyloxybutanedioate (CID 88549724) is dimethyl 2-methyl-2-trimethylsilyloxybutanedioate.
What is the SMILES notation for dimethyl 2-methyl-2-trimethylsilyloxybutanedioate?
The canonical SMILES for dimethyl 2-methyl-2-trimethylsilyloxybutanedioate is COC(=O)CC(C)(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-2-trimethylsilyloxybutanedioate?
The InChIKey is YLRMBDGPFYQNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-10(9(12)14-3,7-8(11)13-2)15-16(4,5)6/h7H2,1-6H3.
What are the key properties of dimethyl 2-methyl-2-trimethylsilyloxybutanedioate?
dimethyl 2-methyl-2-trimethylsilyloxybutanedioate has a molecular weight of 248.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-2-trimethylsilyloxybutanedioate is sourced from PubChem (CID 88549724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).