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

C13H26O4Si — CID 75231714

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCCOC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-7-16-12(15)10-11(8-9-14)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyZDWICVZYCAGYEL-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.92
Rot. Bonds7

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

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (PubChem CID 75231714) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
PubChem CID75231714
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
SMILESCCOC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-7-16-12(15)10-11(8-9-14)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3
InChIKeyZDWICVZYCAGYEL-UHFFFAOYSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.92
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

3-(Tert-butyldimethylsiloxy)glutaric anhydride
CID 4141040
Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 16212721
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 101860943
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentanoate
CID 11266221
Dimethyl 3-triethylsilyloxypentanedioate
CID 11716231
1-O-ethyl 5-O-methoxycarbonyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanedioate
CID 134952959
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 134966850
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate (CID 75231714) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is CCOC(=O)CC(CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
The InChIKey is ZDWICVZYCAGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-16-12(15)10-11(8-9-14)17-18(5,6)13(2,3)4/h9,11H,7-8,10H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate has a molecular weight of 274.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate is sourced from PubChem (CID 75231714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).