ethyl 2-ethyl-3-triethylsilyloxybutanoate

C14H30O3Si — CID 568637

IUPACethyl 2-ethyl-3-triethylsilyloxybutanoate
SMILESCCOC(=O)C(CC)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C14H30O3Si/c1-7-13(14(15)16-8-2)12(6)17-18(9-3,10-4)11-5/h12-13H,7-11H2,1-6H3
InChIKeyVPWFHMGSEOLGFT-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.99
Rot. Bonds9

About ethyl 2-ethyl-3-triethylsilyloxybutanoate

ethyl 2-ethyl-3-triethylsilyloxybutanoate (PubChem CID 568637) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl 2-ethyl-3-triethylsilyloxybutanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-triethylsilyloxybutanoate
PubChem CID568637
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl 2-ethyl-3-triethylsilyloxybutanoate
SMILESCCOC(=O)C(CC)C(C)O[Si](CC)(CC)CC
InChIInChI=1S/C14H30O3Si/c1-7-13(14(15)16-8-2)12(6)17-18(9-3,10-4)11-5/h12-13H,7-11H2,1-6H3
InChIKeyVPWFHMGSEOLGFT-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoate
CID 140438619
Butanoic acid, 2-methyl-3-[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 521655
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 10083872
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 45103255
4-[Tert-butyl(dimethyl)silyl]oxy-3-methyloxan-2-one
CID 72833382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-triethylsilyloxybutanoate?
The IUPAC name of ethyl 2-ethyl-3-triethylsilyloxybutanoate (CID 568637) is ethyl 2-ethyl-3-triethylsilyloxybutanoate.
What is the SMILES notation for ethyl 2-ethyl-3-triethylsilyloxybutanoate?
The canonical SMILES for ethyl 2-ethyl-3-triethylsilyloxybutanoate is CCOC(=O)C(CC)C(C)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl 2-ethyl-3-triethylsilyloxybutanoate?
The InChIKey is VPWFHMGSEOLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-13(14(15)16-8-2)12(6)17-18(9-3,10-4)11-5/h12-13H,7-11H2,1-6H3.
What are the key properties of ethyl 2-ethyl-3-triethylsilyloxybutanoate?
ethyl 2-ethyl-3-triethylsilyloxybutanoate has a molecular weight of 274.48 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-triethylsilyloxybutanoate is sourced from PubChem (CID 568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).