4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate

C10H18O5Si — CID 20612433

IUPAC4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
SMILESCOC(=O)CC(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H18O5Si/c1-14-9(12)7-8(11)10(13)15-5-6-16(2,3)4/h5-7H2,1-4H3
InChIKeyZZWKKWKCXQPSCP-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.00
Rot. Bonds6

About 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate

4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate (PubChem CID 20612433) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate.

Molecular Properties

Compound Name4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
PubChem CID20612433
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
SMILESCOC(=O)CC(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H18O5Si/c1-14-9(12)7-8(11)10(13)15-5-6-16(2,3)4/h5-7H2,1-4H3
InChIKeyZZWKKWKCXQPSCP-UHFFFAOYSA-N
XLogP1.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
[2-oxo-2-(2-trimethylsilylethoxy)ethyl]azaniumylideneazanide
CID 140747628
2-trimethylsilylethyl 2-cyanoprop-2-enoate
CID 54203194
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
potassium;dipropyl 2-oxobutanedioate;hydride
CID 173344043
2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
CID 21244454
methyl 3-oxo-4-trimethylsilylpent-4-enoate
CID 71714425
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
(3S)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 86665259
2-trimethylsilylethyl heptanoate
CID 141105261

Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate?
The IUPAC name of 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate (CID 20612433) is 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate.
What is the SMILES notation for 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate?
The canonical SMILES for 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate is COC(=O)CC(=O)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate?
The InChIKey is ZZWKKWKCXQPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-14-9(12)7-8(11)10(13)15-5-6-16(2,3)4/h5-7H2,1-4H3.
What are the key properties of 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate?
4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate has a molecular weight of 246.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate is sourced from PubChem (CID 20612433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).