(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one

C12H25NO2Si — CID 20735665

IUPAC(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1C(C)C
InChIInChI=1S/C12H25NO2Si/c1-6-16(7-2,8-3)15-11-10(9(4)5)13-12(11)14/h9-11H,6-8H2,1-5H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyINDLTSMFEBQEFR-WDEREUQCSA-N
MW243.42 g/mol
LogP2.53
Rot. Bonds6

About (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one

(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one (PubChem CID 20735665) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one
PubChem CID20735665
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one
SMILESCC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1C(C)C
InChIInChI=1S/C12H25NO2Si/c1-6-16(7-2,8-3)15-11-10(9(4)5)13-12(11)14/h9-11H,6-8H2,1-5H3,(H,13,14)/t10-,11+/m0/s1
InChIKeyINDLTSMFEBQEFR-WDEREUQCSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.53
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 (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one (CID 20735665) is (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one is CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1C(C)C.
What is the InChIKey of (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one?
The InChIKey is INDLTSMFEBQEFR-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-6-16(7-2,8-3)15-11-10(9(4)5)13-12(11)14/h9-11H,6-8H2,1-5H3,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one?
(3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one has a molecular weight of 243.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-propan-2-yl-3-triethylsilyloxyazetidin-2-one is sourced from PubChem (CID 20735665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).