2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate

C17H36O2Si — CID 89477282

IUPAC2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h11-13H2,1-10H3
InChIKeyGYYDSEAGOGDAGJ-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.36
Rot. Bonds5

About 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate

2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate (PubChem CID 89477282) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate
PubChem CID89477282
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OCC[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h11-13H2,1-10H3
InChIKeyGYYDSEAGOGDAGJ-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.36
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 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate?
The IUPAC name of 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate (CID 89477282) is 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate?
The canonical SMILES for 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate is CC(C)(C)CC(C)(C(=O)OCC[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate?
The InChIKey is GYYDSEAGOGDAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-15(2,3)13-17(7,16(4,5)6)14(18)19-11-12-20(8,9)10/h11-13H2,1-10H3.
What are the key properties of 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate?
2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate has a molecular weight of 300.56 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-tert-butyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 89477282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).