trimethylsilyl 2-hydroxypropanoate

C6H14O3Si — CID 14401995

IUPACtrimethylsilyl 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O3Si/c1-5(7)6(8)9-10(2,3)4/h5,7H,1-4H3
InChIKeyORNSVNHCRGTFDE-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.75
Rot. Bonds2

About trimethylsilyl 2-hydroxypropanoate

trimethylsilyl 2-hydroxypropanoate (PubChem CID 14401995) has the molecular formula C6H14O3Si and a molecular weight of 162.26 g/mol. Its IUPAC name is trimethylsilyl 2-hydroxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-hydroxypropanoate
PubChem CID14401995
Molecular FormulaC6H14O3Si
Molecular Weight162.26 g/mol
Exact Mass162.07
IUPAC Nametrimethylsilyl 2-hydroxypropanoate
SMILESCC(O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C6H14O3Si/c1-5(7)6(8)9-10(2,3)4/h5,7H,1-4H3
InChIKeyORNSVNHCRGTFDE-UHFFFAOYSA-N
XLogP0.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.75
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 trimethylsilyl 2-hydroxypropanoate?
The IUPAC name of trimethylsilyl 2-hydroxypropanoate (CID 14401995) is trimethylsilyl 2-hydroxypropanoate.
What is the SMILES notation for trimethylsilyl 2-hydroxypropanoate?
The canonical SMILES for trimethylsilyl 2-hydroxypropanoate is CC(O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-hydroxypropanoate?
The InChIKey is ORNSVNHCRGTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3Si/c1-5(7)6(8)9-10(2,3)4/h5,7H,1-4H3.
What are the key properties of trimethylsilyl 2-hydroxypropanoate?
trimethylsilyl 2-hydroxypropanoate has a molecular weight of 162.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-hydroxypropanoate is sourced from PubChem (CID 14401995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).