trimethylsilyl 2,2-dimethylpropanoate

C8H18O2Si — CID 11041219

IUPACtrimethylsilyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-8(2,3)7(9)10-11(4,5)6/h1-6H3
InChIKeyMKNPAZMWDJMYJS-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.41
Rot. Bonds1

About trimethylsilyl 2,2-dimethylpropanoate

trimethylsilyl 2,2-dimethylpropanoate (PubChem CID 11041219) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is trimethylsilyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,2-dimethylpropanoate
PubChem CID11041219
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Nametrimethylsilyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H18O2Si/c1-8(2,3)7(9)10-11(4,5)6/h1-6H3
InChIKeyMKNPAZMWDJMYJS-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
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 trimethylsilyl 2,2-dimethylpropanoate?
The IUPAC name of trimethylsilyl 2,2-dimethylpropanoate (CID 11041219) is trimethylsilyl 2,2-dimethylpropanoate.
What is the SMILES notation for trimethylsilyl 2,2-dimethylpropanoate?
The canonical SMILES for trimethylsilyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2,2-dimethylpropanoate?
The InChIKey is MKNPAZMWDJMYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-8(2,3)7(9)10-11(4,5)6/h1-6H3.
What are the key properties of trimethylsilyl 2,2-dimethylpropanoate?
trimethylsilyl 2,2-dimethylpropanoate has a molecular weight of 174.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11041219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).