2-trimethylsilylethyl 3-oxopentanoate

C10H20O3Si — CID 23595852

IUPAC2-trimethylsilylethyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-5-9(11)8-10(12)13-6-7-14(2,3)4/h5-8H2,1-4H3
InChIKeySABXWYZZNLOJFZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.24
Rot. Bonds6

About 2-trimethylsilylethyl 3-oxopentanoate

2-trimethylsilylethyl 3-oxopentanoate (PubChem CID 23595852) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl 3-oxopentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 3-oxopentanoate
PubChem CID23595852
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-trimethylsilylethyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-5-9(11)8-10(12)13-6-7-14(2,3)4/h5-8H2,1-4H3
InChIKeySABXWYZZNLOJFZ-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amyl Acetoacetate
CID 138786
4-Ethyl-3-trimethylsilyloxetan-2-one
CID 327320
Ethyl 3-oxo-5-trimethylsilylpent-4-ynoate
CID 11469919
3-(Trimethoxysilyl)propyl 3-oxobutanoate
CID 22022576
3-Ketovaleric acid, TMS
CID 523682
Ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
CID 4116884
(3R,4S)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426044
(3R,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426045
(3S,4R)-4-Ethyl-3-(trimethylsilyl)oxetan-2-one
CID 71374857
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
Methyl 3-oxo-5-trimethylsilylethoxypentanoate
CID 101618191
2-(Trimethylsilyl)ethyl Acetoacetate
CID 11481114

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 3-oxopentanoate?
The IUPAC name of 2-trimethylsilylethyl 3-oxopentanoate (CID 23595852) is 2-trimethylsilylethyl 3-oxopentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 3-oxopentanoate?
The canonical SMILES for 2-trimethylsilylethyl 3-oxopentanoate is CCC(=O)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 3-oxopentanoate?
The InChIKey is SABXWYZZNLOJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-5-9(11)8-10(12)13-6-7-14(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-trimethylsilylethyl 3-oxopentanoate?
2-trimethylsilylethyl 3-oxopentanoate has a molecular weight of 216.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 3-oxopentanoate is sourced from PubChem (CID 23595852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).