2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate

C11H22O3Si — CID 15363461

IUPAC2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
SMILESCC(C)(C)C(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-11(2,3)9(12)10(13)14-7-8-15(4,5)6/h7-8H2,1-6H3
InChIKeyNXRDHOUTTWLYGB-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.48
Rot. Bonds4

About 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate

2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate (PubChem CID 15363461) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
PubChem CID15363461
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
SMILESCC(C)(C)C(=O)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C11H22O3Si/c1-11(2,3)9(12)10(13)14-7-8-15(4,5)6/h7-8H2,1-6H3
InChIKeyNXRDHOUTTWLYGB-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-aminooxy-2-methylpropanoate
CID 21244454
4-O-methyl 1-O-(2-trimethylsilylethyl) 2-oxobutanedioate
CID 20612433
2-trimethylsilylethyl 2-cyanoprop-2-enoate
CID 54203194
2-trimethylsilylethyl 2,4,4-trimethylpentanoate
CID 123363662
4-O-tert-butyl 1-O-(2-trimethylsilylethyl) (E)-but-2-enedioate
CID 88503602
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-oxobutanoate
CID 155660628
2-(2-trimethylsilylethoxycarbonylamino)ethane-1,1,1-tricarboxylic acid
CID 123214933
4-O-ethyl 1-O-(2-trimethylsilylethyl) 2-acetylbut-2-enedioate
CID 72580897
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate?
The IUPAC name of 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate (CID 15363461) is 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate.
What is the SMILES notation for 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate?
The canonical SMILES for 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate is CC(C)(C)C(=O)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate?
The InChIKey is NXRDHOUTTWLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)9(12)10(13)14-7-8-15(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate?
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate has a molecular weight of 230.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate is sourced from PubChem (CID 15363461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).