3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate

C13H26O5Si — CID 58760847

IUPAC3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate
SMILESCCO[Si](CC)(CCCOC(=O)CC(C)=O)OCC
InChIInChI=1S/C13H26O5Si/c1-5-17-19(7-3,18-6-2)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3
InChIKeyZJCISWWSOMUSSU-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.43
Rot. Bonds11

About 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate

3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate (PubChem CID 58760847) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate.

Molecular Properties

Compound Name3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate
PubChem CID58760847
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate
SMILESCCO[Si](CC)(CCCOC(=O)CC(C)=O)OCC
InChIInChI=1S/C13H26O5Si/c1-5-17-19(7-3,18-6-2)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3
InChIKeyZJCISWWSOMUSSU-UHFFFAOYSA-N
XLogP2.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethylsilyl malonate
CID 87655
Ethyl 4-(diethoxymethylsilyl)butyrate
CID 85265
Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
mono-Ethyl malonate, TBDMS derivative
CID 89245308
Ethyl 3-oxo-5-trimethylsilylpent-4-ynoate
CID 11469919
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Ethyl 3-oxo-4-{[tri(propan-2-yl)silyl]oxy}butanoate
CID 59370314
3-(Trimethoxysilyl)propyl 3-oxobutanoate
CID 22022576
3-[Diethoxy(methyl)silyl]propyl 4,4,4-trifluoro-3-oxobutanoate
CID 90225057
3-Triethoxysilylpropyl 4,4,4-trifluoro-3-oxobutanoate
CID 90227319
Ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
CID 4116884

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate?
The IUPAC name of 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate (CID 58760847) is 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate.
What is the SMILES notation for 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate?
The canonical SMILES for 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate is CCO[Si](CC)(CCCOC(=O)CC(C)=O)OCC.
What is the InChIKey of 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate?
The InChIKey is ZJCISWWSOMUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-5-17-19(7-3,18-6-2)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3.
What are the key properties of 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate?
3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate has a molecular weight of 290.43 g/mol, XLogP of 2.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(ethyl)silyl]propyl 3-oxobutanoate is sourced from PubChem (CID 58760847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).