butyl 2-trimethylsilylacetate

C9H20O2Si — CID 15651272

IUPACbutyl 2-trimethylsilylacetate
SMILESCCCCOC(=O)C[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-11-9(10)8-12(2,3)4/h5-8H2,1-4H3
InChIKeyGCLJEWOCJNRABA-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds5

About butyl 2-trimethylsilylacetate

butyl 2-trimethylsilylacetate (PubChem CID 15651272) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is butyl 2-trimethylsilylacetate.

Molecular Properties

Compound Namebutyl 2-trimethylsilylacetate
PubChem CID15651272
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namebutyl 2-trimethylsilylacetate
SMILESCCCCOC(=O)C[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-6-7-11-9(10)8-12(2,3)4/h5-8H2,1-4H3
InChIKeyGCLJEWOCJNRABA-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butyl 2-trimethylsilylacetate?
The IUPAC name of butyl 2-trimethylsilylacetate (CID 15651272) is butyl 2-trimethylsilylacetate.
What is the SMILES notation for butyl 2-trimethylsilylacetate?
The canonical SMILES for butyl 2-trimethylsilylacetate is CCCCOC(=O)C[Si](C)(C)C.
What is the InChIKey of butyl 2-trimethylsilylacetate?
The InChIKey is GCLJEWOCJNRABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-6-7-11-9(10)8-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of butyl 2-trimethylsilylacetate?
butyl 2-trimethylsilylacetate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-trimethylsilylacetate is sourced from PubChem (CID 15651272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).