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

C10H22O3Si — CID 11053144

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(9(11)12-5)13-14(6,7)10(2,3)4/h8H,1-7H3/t8-/m0/s1
InChIKeyPNJFLQWCBDRGFD-QMMMGPOBSA-N
MW218.37 g/mol
LogP2.57
Rot. Bonds3

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

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (PubChem CID 11053144) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
PubChem CID11053144
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate
SMILESCOC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(9(11)12-5)13-14(6,7)10(2,3)4/h8H,1-7H3/t8-/m0/s1
InChIKeyPNJFLQWCBDRGFD-QMMMGPOBSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.57
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 methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate (CID 11053144) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is COC(=O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
The InChIKey is PNJFLQWCBDRGFD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-8(9(11)12-5)13-14(6,7)10(2,3)4/h8H,1-7H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate has a molecular weight of 218.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoate is sourced from PubChem (CID 11053144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).