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

C11H24O4Si — CID 59279535

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
SMILESCOC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyBANSAWNIWUUHOY-VIFPVBQESA-N
MW248.39 g/mol
LogP2.20
Rot. Bonds5

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

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate (PubChem CID 59279535) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
PubChem CID59279535
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate
SMILESCOC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyBANSAWNIWUUHOY-VIFPVBQESA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.20
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-methoxypropanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate (CID 59279535) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate is COC[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-methoxypropanoate?
The InChIKey is BANSAWNIWUUHOY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24O4Si/c1-11(2,3)16(6,7)15-9(8-13-4)10(12)14-5/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropanoate has a molecular weight of 248.39 g/mol, XLogP of 2.20, 5 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-methoxypropanoate is sourced from PubChem (CID 59279535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).