methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate

C12H26O4Si — CID 57438643

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate
SMILESCCOC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O4Si/c1-8-15-9-10(11(13)14-5)16-17(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyBUSRAEGLZDAGKX-JTQLQIEISA-N
MW262.42 g/mol
LogP2.59
Rot. Bonds6

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate (PubChem CID 57438643) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate
PubChem CID57438643
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate
SMILESCCOC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H26O4Si/c1-8-15-9-10(11(13)14-5)16-17(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyBUSRAEGLZDAGKX-JTQLQIEISA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate (CID 57438643) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate is CCOC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate?
The InChIKey is BUSRAEGLZDAGKX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8-15-9-10(11(13)14-5)16-17(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate has a molecular weight of 262.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxypropanoate is sourced from PubChem (CID 57438643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).