3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate

C13H30O3Si2 — CID 20652795

IUPAC3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-8-12(2)13(14)15-10-9-11-18(6,7)16-17(3,4)5/h12H,8-11H2,1-7H3
InChIKeyBJPKZHTYJDKMEN-UHFFFAOYSA-N
MW290.55 g/mol
LogP4.02
Rot. Bonds8

About 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate

3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate (PubChem CID 20652795) has the molecular formula C13H30O3Si2 and a molecular weight of 290.55 g/mol. Its IUPAC name is 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate.

Molecular Properties

Compound Name3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate
PubChem CID20652795
Molecular FormulaC13H30O3Si2
Molecular Weight290.55 g/mol
Exact Mass290.17
IUPAC Name3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C13H30O3Si2/c1-8-12(2)13(14)15-10-9-11-18(6,7)16-17(3,4)5/h12H,8-11H2,1-7H3
InChIKeyBJPKZHTYJDKMEN-UHFFFAOYSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate?
The IUPAC name of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate (CID 20652795) is 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate.
What is the SMILES notation for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate?
The canonical SMILES for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate is CCC(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate?
The InChIKey is BJPKZHTYJDKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O3Si2/c1-8-12(2)13(14)15-10-9-11-18(6,7)16-17(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate?
3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate has a molecular weight of 290.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(trimethylsilyloxy)silyl]propyl 2-methylbutanoate is sourced from PubChem (CID 20652795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).