methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

C10H22O4Si — CID 45037054

IUPACmethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4/h8,11H,7H2,1-6H3/t8-/m1/s1
InChIKeyHMRLOTXXISMWKX-MRVPVSSYSA-N
MW234.37 g/mol
LogP1.54
Rot. Bonds4

About methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate

methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (PubChem CID 45037054) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
PubChem CID45037054
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Namemethyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4/h8,11H,7H2,1-6H3/t8-/m1/s1
InChIKeyHMRLOTXXISMWKX-MRVPVSSYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
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 (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate (CID 45037054) is methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is COC(=O)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
The InChIKey is HMRLOTXXISMWKX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-10(2,3)15(5,6)14-7-8(11)9(12)13-4/h8,11H,7H2,1-6H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate?
methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate has a molecular weight of 234.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoate is sourced from PubChem (CID 45037054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).