[tert-butyl(dimethyl)silyl] propanoate

C9H20O2Si — CID 528101

IUPAC[tert-butyl(dimethyl)silyl] propanoate
SMILESCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7-8(10)11-12(5,6)9(2,3)4/h7H2,1-6H3
InChIKeyWNORCYXNCTYGSE-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.94
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] propanoate

[tert-butyl(dimethyl)silyl] propanoate (PubChem CID 528101) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] propanoate
PubChem CID528101
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name[tert-butyl(dimethyl)silyl] propanoate
SMILESCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H20O2Si/c1-7-8(10)11-12(5,6)9(2,3)4/h7H2,1-6H3
InChIKeyWNORCYXNCTYGSE-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.94
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 [tert-butyl(dimethyl)silyl] propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] propanoate (CID 528101) is [tert-butyl(dimethyl)silyl] propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] propanoate is CCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] propanoate?
The InChIKey is WNORCYXNCTYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-7-8(10)11-12(5,6)9(2,3)4/h7H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] propanoate?
[tert-butyl(dimethyl)silyl] propanoate has a molecular weight of 188.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] propanoate is sourced from PubChem (CID 528101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).