ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

C14H28O4Si — CID 134975630

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

About ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate

ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (PubChem CID 134975630) 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-3-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
PubChem CID134975630
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Nameethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
SMILESCCOC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-7-17-13(16)11-12(15)9-8-10-18-19(5,6)14(2,3)4/h7-11H2,1-6H3
InChIKeyREARWMJMUNLQEO-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': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 6-((tert-butyldimethylsilyl)oxy)hexanoate
CID 125473289
Ethyl 6-triisopropylsiloxy-3-oxohexanoate
CID 13969802
(1-Ethoxy-1-oxopropan-2-yl) 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134973617
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxohexanoate
CID 138964688
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhexanoate
CID 129404573
Tert-butyl 6-methoxy-3-oxohexanoate
CID 10036248
Ethyl 3-((tert-butyldimethylsilyl)oxy)hexanoate
CID 14264095
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3,5-dioxohexanoate
CID 23138843
(2-Trimethylsilylethyl) 3-oxovalerate
CID 23595852
Ethyl 6-ethoxy-3-oxohexanoate
CID 54181016
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione
CID 54362216
Ethyl 6-methoxy-3-oxohexanoate
CID 54410939

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The IUPAC name of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate (CID 134975630) is ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate.
What is the SMILES notation for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The canonical SMILES for ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate is CCOC(=O)CC(=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
The InChIKey is REARWMJMUNLQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-7-17-13(16)11-12(15)9-8-10-18-19(5,6)14(2,3)4/h7-11H2,1-6H3.
What are the key properties of ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate?
ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-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-3-oxohexanoate is sourced from PubChem (CID 134975630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).