[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate

C9H20O3Si — CID 14325765

IUPAC[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O3Si/c1-7(10)8(11)12-13(5,6)9(2,3)4/h7,10H,1-6H3
InChIKeyYTQAYCDVBGYAKG-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.92
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate

[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate (PubChem CID 14325765) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate
PubChem CID14325765
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O3Si/c1-7(10)8(11)12-13(5,6)9(2,3)4/h7,10H,1-6H3
InChIKeyYTQAYCDVBGYAKG-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
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 [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate (CID 14325765) is [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate is CC(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate?
The InChIKey is YTQAYCDVBGYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-7(10)8(11)12-13(5,6)9(2,3)4/h7,10H,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate?
[tert-butyl(dimethyl)silyl] 2-hydroxypropanoate has a molecular weight of 204.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-hydroxypropanoate is sourced from PubChem (CID 14325765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).