[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate

C17H34O4Si — CID 25108327

IUPAC[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](COC(=O)C(C)(C)C)C[C@H](C)C=O
InChIInChI=1S/C17H34O4Si/c1-8-22(9-2,10-3)21-15(11-14(4)12-18)13-20-16(19)17(5,6)7/h12,14-15H,8-11,13H2,1-7H3/t14-,15-/m0/s1
InChIKeyZBNQFYQNIIOWEE-GJZGRUSLSA-N
MW330.54 g/mol
LogP4.19
Rot. Bonds10

About [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate

[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate (PubChem CID 25108327) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
PubChem CID25108327
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
SMILESCC[Si](CC)(CC)O[C@H](COC(=O)C(C)(C)C)C[C@H](C)C=O
InChIInChI=1S/C17H34O4Si/c1-8-22(9-2,10-3)21-15(11-14(4)12-18)13-20-16(19)17(5,6)7/h12,14-15H,8-11,13H2,1-7H3/t14-,15-/m0/s1
InChIKeyZBNQFYQNIIOWEE-GJZGRUSLSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
3-Trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 23594393
[1-[Tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl] acetate
CID 85295731
[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
CID 10738933
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl] acetate
CID 10869504
[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl] acetate
CID 10945656
[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-oxohexyl] 2,2-dimethylpropanoate
CID 11078855
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate
CID 11359965

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate (CID 25108327) is [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate is CC[Si](CC)(CC)O[C@H](COC(=O)C(C)(C)C)C[C@H](C)C=O.
What is the InChIKey of [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
The InChIKey is ZBNQFYQNIIOWEE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-22(9-2,10-3)21-15(11-14(4)12-18)13-20-16(19)17(5,6)7/h12,14-15H,8-11,13H2,1-7H3/t14-,15-/m0/s1.
What are the key properties of [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate?
[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate has a molecular weight of 330.54 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 25108327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).