trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate

C9H22O4Si2 — CID 87431804

IUPACtrimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate
SMILESCC(O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O4Si2/c1-9(11,13-15(5,6)7)8(10)12-14(2,3)4/h11H,1-7H3
InChIKeyCNOKGPXLQSDOFK-UHFFFAOYSA-N
MW250.44 g/mol
LogP1.92
Rot. Bonds4

About trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate

trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate (PubChem CID 87431804) has the molecular formula C9H22O4Si2 and a molecular weight of 250.44 g/mol. Its IUPAC name is trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate
PubChem CID87431804
Molecular FormulaC9H22O4Si2
Molecular Weight250.44 g/mol
Exact Mass250.11
IUPAC Nametrimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate
SMILESCC(O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H22O4Si2/c1-9(11,13-15(5,6)7)8(10)12-14(2,3)4/h11H,1-7H3
InChIKeyCNOKGPXLQSDOFK-UHFFFAOYSA-N
XLogP1.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate?
The IUPAC name of trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate (CID 87431804) is trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate.
What is the SMILES notation for trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate?
The canonical SMILES for trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate is CC(O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate?
The InChIKey is CNOKGPXLQSDOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O4Si2/c1-9(11,13-15(5,6)7)8(10)12-14(2,3)4/h11H,1-7H3.
What are the key properties of trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate?
trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate has a molecular weight of 250.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-hydroxy-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 87431804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).