ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate

C14H28O4Si — CID 134870669

IUPACethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
SMILESCCOC(=O)C(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyIAFBEDWUDWANNX-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.31
Rot. Bonds8

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate (PubChem CID 134870669) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
PubChem CID134870669
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
SMILESCCOC(=O)C(=O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyIAFBEDWUDWANNX-UHFFFAOYSA-N
XLogP3.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1,6-dioxohexan-2-yl] acetate
CID 12156625
Methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-oxopentanoate
CID 101365194
6-[Tert-butyl(dimethyl)silyl]oxy-2-oxohexanoic acid
CID 134916975
tert-Butyldimethylsilyl 2-acetoxyhexanoate
CID 91709836
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate
CID 23138843
Ethyl 7-[(tert-butyldimethylsilyl)oxy]-2,4-dioxoheptanoate
CID 54073086
Ethyl 2-{[tert-butyl(dimethyl)silyl]oxy}hexanoate
CID 57438620
9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate
CID 156904324
Ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
CID 158638195
Ethyl 6-[methoxy(dimethyl)silyl]-2-oxohexanoate;methyl 6-[ethoxy(dimethyl)silyl]-2-oxohexanoate
CID 160469318
[1-[Tert-butyl(dimethyl)silyl]-2-oxoheptan-3-yl] acetate
CID 101451829

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate (CID 134870669) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate is CCOC(=O)C(=O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate?
The InChIKey is IAFBEDWUDWANNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-17-13(16)12(15)10-8-9-11-18-19(5,6)14(2,3)4/h7-11H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate has a molecular weight of 288.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate is sourced from PubChem (CID 134870669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).