tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate

C17H30O4Si — CID 132594626

IUPACtert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
SMILESCC(C)(C)OC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C17H30O4Si/c1-16(2,3)20-14(19)11-12-9-10-13(18)15(12)21-22(7,8)17(4,5)6/h9-11H2,1-8H3
InChIKeyMSJYSTWMDLOHED-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.36
Rot. Bonds4

About tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate

tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate (PubChem CID 132594626) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
PubChem CID132594626
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate
SMILESCC(C)(C)OC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C17H30O4Si/c1-16(2,3)20-14(19)11-12-9-10-13(18)15(12)21-22(7,8)17(4,5)6/h9-11H2,1-8H3
InChIKeyMSJYSTWMDLOHED-UHFFFAOYSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate (CID 132594626) is tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate is CC(C)(C)OC(=O)CC1=C(O[Si](C)(C)C(C)(C)C)C(=O)CC1.
What is the InChIKey of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
The InChIKey is MSJYSTWMDLOHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-16(2,3)20-14(19)11-12-9-10-13(18)15(12)21-22(7,8)17(4,5)6/h9-11H2,1-8H3.
What are the key properties of tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate?
tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate has a molecular weight of 326.51 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclopenten-1-yl]acetate is sourced from PubChem (CID 132594626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).