trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate

C13H30O3Si2 — CID 91696638

IUPACtrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate
SMILESCCCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-9-10-13(2,11-15-17(3,4)5)12(14)16-18(6,7)8/h9-11H2,1-8H3
InChIKeyPSMWALNBGLWYFK-UHFFFAOYSA-N
MW290.55 g/mol
LogP4.02
Rot. Bonds7

About trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate

trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate (PubChem CID 91696638) has the molecular formula C13H30O3Si2 and a molecular weight of 290.55 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate
PubChem CID91696638
Molecular FormulaC13H30O3Si2
Molecular Weight290.55 g/mol
Exact Mass290.17
IUPAC Nametrimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate
SMILESCCCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-9-10-13(2,11-15-17(3,4)5)12(14)16-18(6,7)8/h9-11H2,1-8H3
InChIKeyPSMWALNBGLWYFK-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
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-methyl-2-(trimethylsilyloxymethyl)pentanoate?
The IUPAC name of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate (CID 91696638) is trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate?
The canonical SMILES for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate is CCCC(C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate?
The InChIKey is PSMWALNBGLWYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si2/c1-9-10-13(2,11-15-17(3,4)5)12(14)16-18(6,7)8/h9-11H2,1-8H3.
What are the key properties of trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate?
trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate has a molecular weight of 290.55 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-2-(trimethylsilyloxymethyl)pentanoate is sourced from PubChem (CID 91696638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).