2-[tert-butyl(dimethyl)silyl]oxypropanoic acid

C9H20O3Si — CID 14358756

IUPAC2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H20O3Si/c1-7(8(10)11)12-13(5,6)9(2,3)4/h7H,1-6H3,(H,10,11)
InChIKeyVWUVOHLUOBJYHD-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.48
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid

2-[tert-butyl(dimethyl)silyl]oxypropanoic acid (PubChem CID 14358756) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
PubChem CID14358756
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H20O3Si/c1-7(8(10)11)12-13(5,6)9(2,3)4/h7H,1-6H3,(H,10,11)
InChIKeyVWUVOHLUOBJYHD-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid (CID 14358756) is 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid is CC(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The InChIKey is VWUVOHLUOBJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-7(8(10)11)12-13(5,6)9(2,3)4/h7H,1-6H3,(H,10,11).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
2-[tert-butyl(dimethyl)silyl]oxypropanoic acid has a molecular weight of 204.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxypropanoic acid is sourced from PubChem (CID 14358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).