2-trimethylsilylethyl 2-methyl-5-oxohexanoate

C12H24O3Si — CID 22086153

IUPAC2-trimethylsilylethyl 2-methyl-5-oxohexanoate
SMILESCC(=O)CCC(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(6-7-11(2)13)12(14)15-8-9-16(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAFHCCPIYZZQRMK-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.87
Rot. Bonds7

About 2-trimethylsilylethyl 2-methyl-5-oxohexanoate

2-trimethylsilylethyl 2-methyl-5-oxohexanoate (PubChem CID 22086153) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-methyl-5-oxohexanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-methyl-5-oxohexanoate
PubChem CID22086153
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-trimethylsilylethyl 2-methyl-5-oxohexanoate
SMILESCC(=O)CCC(C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(6-7-11(2)13)12(14)15-8-9-16(3,4)5/h10H,6-9H2,1-5H3
InChIKeyAFHCCPIYZZQRMK-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Isobutyl 5-ketohexanoate
CID 54357072
Ethyl 4-methyl-5-oxo-hexanoate
CID 291975
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
CID 10935553
3-Methylbutyl 5-oxohexanoate
CID 122392621
(4R)-4-(3-trimethylsilylpropyl)oxan-2-one
CID 125510124
Ethyl 2-methyl-5-oxohexanoate
CID 10964993
Ethyl 3-methyl-5-oxohexanoate
CID 11008391
Ethyl 2-ethyl-5-oxohexanoate
CID 12611239
Propyl 4-ethyl-2-methyl-5-oxohexanoate
CID 22979647
Pentyl 2-methyl-5-oxohexanoate
CID 54018260
ethyl (3S)-3-methyl-5-oxohexanoate
CID 57986048

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxohexanoate?
The IUPAC name of 2-trimethylsilylethyl 2-methyl-5-oxohexanoate (CID 22086153) is 2-trimethylsilylethyl 2-methyl-5-oxohexanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-methyl-5-oxohexanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-methyl-5-oxohexanoate is CC(=O)CCC(C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-methyl-5-oxohexanoate?
The InChIKey is AFHCCPIYZZQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(6-7-11(2)13)12(14)15-8-9-16(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of 2-trimethylsilylethyl 2-methyl-5-oxohexanoate?
2-trimethylsilylethyl 2-methyl-5-oxohexanoate has a molecular weight of 244.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-methyl-5-oxohexanoate is sourced from PubChem (CID 22086153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).