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

C14H28O4Si — CID 135066118

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
SMILESCCOC(=O)C(C)(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-17-12(16)14(5,10-9-11-15)18-19(6,7)13(2,3)4/h11H,8-10H2,1-7H3
InChIKeyZHFFMQRWYMYXKW-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds7

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

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate (PubChem CID 135066118) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
PubChem CID135066118
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
SMILESCCOC(=O)C(C)(CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-8-17-12(16)14(5,10-9-11-15)18-19(6,7)13(2,3)4/h11H,8-10H2,1-7H3
InChIKeyZHFFMQRWYMYXKW-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.31
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

5-Oxo-2-(trifluoromethyl)-2-(trimethylsiloxy)pentanoic acid methyl ester
CID 11558300
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 60195514
tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
[1-[Tert-butyl(dimethyl)silyl]oxy-5-oxopentan-2-yl] acetate
CID 85295731
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 164851609
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 175560241
[(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
Dimethyl 2-methyl-2-trimethylsilyloxypentanedioate
CID 11065252
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
CID 11108990
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 ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate (CID 135066118) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate is CCOC(=O)C(C)(CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate?
The InChIKey is ZHFFMQRWYMYXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-8-17-12(16)14(5,10-9-11-15)18-19(6,7)13(2,3)4/h11H,8-10H2,1-7H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate is sourced from PubChem (CID 135066118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).