[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate

C12H24O3Si — CID 24776749

IUPAC[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(15-10(2)13)11(14)8-16(6,7)12(3,4)5/h9H,8H2,1-7H3
InChIKeyJZKHTEKAGXOWJC-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.02
Rot. Bonds4

About [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate

[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate (PubChem CID 24776749) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate
PubChem CID24776749
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9(15-10(2)13)11(14)8-16(6,7)12(3,4)5/h9H,8H2,1-7H3
InChIKeyJZKHTEKAGXOWJC-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.02
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 [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate (CID 24776749) is [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate is CC(=O)OC(C)C(=O)C[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate?
The InChIKey is JZKHTEKAGXOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9(15-10(2)13)11(14)8-16(6,7)12(3,4)5/h9H,8H2,1-7H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate?
[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate has a molecular weight of 244.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] acetate is sourced from PubChem (CID 24776749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).