[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate

C13H25NO4Si — CID 123813646

IUPAC[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1C(C(C)(C)C)C(C)(C)O[SiH3]
InChIInChI=1S/C13H25NO4Si/c1-7(15)17-11-8(10(16)14-11)9(12(2,3)4)13(5,6)18-19/h8-9,11H,1-6,19H3,(H,14,16)
InChIKeyXPUWIOZERXJNSC-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.36
Rot. Bonds4

About [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate

[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate (PubChem CID 123813646) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate.

Molecular Properties

Compound Name[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate
PubChem CID123813646
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1C(C(C)(C)C)C(C)(C)O[SiH3]
InChIInChI=1S/C13H25NO4Si/c1-7(15)17-11-8(10(16)14-11)9(12(2,3)4)13(5,6)18-19/h8-9,11H,1-6,19H3,(H,14,16)
InChIKeyXPUWIOZERXJNSC-UHFFFAOYSA-N
XLogP0.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate?
The IUPAC name of [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate (CID 123813646) is [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate.
What is the SMILES notation for [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate?
The canonical SMILES for [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate is CC(=O)OC1NC(=O)C1C(C(C)(C)C)C(C)(C)O[SiH3].
What is the InChIKey of [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate?
The InChIKey is XPUWIOZERXJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-7(15)17-11-8(10(16)14-11)9(12(2,3)4)13(5,6)18-19/h8-9,11H,1-6,19H3,(H,14,16).
What are the key properties of [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate?
[4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-(2,2,4-trimethyl-4-silyloxypentan-3-yl)azetidin-2-yl] acetate is sourced from PubChem (CID 123813646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).