tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate

C17H34O4Si — CID 135705245

IUPACtert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
SMILESCC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(14(18)15(19)21-16(2,3)4)11-12-20-22(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m0/s1
InChIKeyACLJZZSHTNMXFS-ZDUSSCGKSA-N
MW330.54 g/mol
LogP4.34
Rot. Bonds7

About tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate

tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate (PubChem CID 135705245) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
PubChem CID135705245
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nametert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
SMILESCC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(14(18)15(19)21-16(2,3)4)11-12-20-22(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m0/s1
InChIKeyACLJZZSHTNMXFS-ZDUSSCGKSA-N
XLogP4.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101365194
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxopentanoate
CID 135002604
tert-butyl (3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-2-oxopentanoate
CID 135003182
Dimethyl 3-acetyl-3-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]pentanedioate
CID 57687983
Dimethyl 3-acetyl-3-(3-triethoxysilylpropoxy)pentanedioate
CID 57687990
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]-3-methylpentanoate
CID 73323587
Ethyl 2-oxo-5-tri(propan-2-yl)silyloxypentanoate
CID 87894585
Tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
tert-butyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpentanoate
CID 157923868
tert-butyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate
CID 16220561
tert-butyl (2S)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxy-3-methylpentanoate
CID 16755896

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate?
The IUPAC name of tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate (CID 135705245) is tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate.
What is the SMILES notation for tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate?
The canonical SMILES for tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate is CC[C@@H](CCO[Si](C)(C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate?
The InChIKey is ACLJZZSHTNMXFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-13(14(18)15(19)21-16(2,3)4)11-12-20-22(8,9)17(5,6)7/h13H,10-12H2,1-9H3/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate?
tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate has a molecular weight of 330.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-2-oxopentanoate is sourced from PubChem (CID 135705245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).