ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate

C11H24O3Si — CID 10966394

IUPACethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8-13-10(12)9(2)14-15(6,7)11(3,4)5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyKOBAXFIJEBLKRZ-VIFPVBQESA-N
MW232.40 g/mol
LogP2.96
Rot. Bonds4

About ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate

ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 10966394) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID10966394
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Nameethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O3Si/c1-8-13-10(12)9(2)14-15(6,7)11(3,4)5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyKOBAXFIJEBLKRZ-VIFPVBQESA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 10966394) is ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is CCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is KOBAXFIJEBLKRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O3Si/c1-8-13-10(12)9(2)14-15(6,7)11(3,4)5/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 232.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 10966394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).