ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate

C17H34O4Si — CID 10664204

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate
SMILESCCOC(=O)CC(C)(CCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-20-15(19)14-17(5,12-10-9-11-13-18)21-22(6,7)16(2,3)4/h13H,8-12,14H2,1-7H3
InChIKeyCGWCJUBGTRDQKY-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.48
Rot. Bonds10

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate (PubChem CID 10664204) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate
PubChem CID10664204
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate
SMILESCCOC(=O)CC(C)(CCCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-8-20-15(19)14-17(5,12-10-9-11-13-18)21-22(6,7)16(2,3)4/h13H,8-12,14H2,1-7H3
InChIKeyCGWCJUBGTRDQKY-UHFFFAOYSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-8-oxooxocan-2-yl]propanal
CID 11142047
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
2-[(2S,3S,4S,5R)-3,5-dimethyl-6-oxo-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 42600667
Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-1,4-dimethoxycyclohexyl]acetate
CID 122374939
Methyl (R)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990780
Methyl (S)-3-((tert-butyldimethylsilyl)oxy)-3-cyclohexylbutanoate
CID 132990803
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919061
ethyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134919062
ethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927880
ethyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]peroxy-2-methylheptanoate
CID 134927881
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Ethyl 2-acetyl-9-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 135070686

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate (CID 10664204) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate is CCOC(=O)CC(C)(CCCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate?
The InChIKey is CGWCJUBGTRDQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-20-15(19)14-17(5,12-10-9-11-13-18)21-22(6,7)16(2,3)4/h13H,8-12,14H2,1-7H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-8-oxooctanoate has a molecular weight of 330.54 g/mol, XLogP of 4.48, 10 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-3-methyl-8-oxooctanoate is sourced from PubChem (CID 10664204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).