(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

C11H23NO2Si — CID 10130795

IUPAC(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CNC1=O
InChIInChI=1S/C11H23NO2Si/c1-8(9-7-12-10(9)13)14-15(5,6)11(2,3)4/h8-9H,7H2,1-6H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyXDZTVBLUGCFKFW-BDAKNGLRSA-N
MW229.40 g/mol
LogP2.14
Rot. Bonds3

About (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one

(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (PubChem CID 10130795) has the molecular formula C11H23NO2Si and a molecular weight of 229.40 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
PubChem CID10130795
Molecular FormulaC11H23NO2Si
Molecular Weight229.40 g/mol
Exact Mass229.15
IUPAC Name(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CNC1=O
InChIInChI=1S/C11H23NO2Si/c1-8(9-7-12-10(9)13)14-15(5,6)11(2,3)4/h8-9H,7H2,1-6H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyXDZTVBLUGCFKFW-BDAKNGLRSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
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 (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one (CID 10130795) is (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CNC1=O.
What is the InChIKey of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
The InChIKey is XDZTVBLUGCFKFW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H23NO2Si/c1-8(9-7-12-10(9)13)14-15(5,6)11(2,3)4/h8-9H,7H2,1-6H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one?
(3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one has a molecular weight of 229.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one is sourced from PubChem (CID 10130795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).