(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one

C14H27NO2Si2 — CID 10851569

IUPAC(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
SMILESCC(C)[C@]1(O[Si](C)(C)C)C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C14H27NO2Si2/c1-11(2)14(17-19(6,7)8)12(15-13(14)16)9-10-18(3,4)5/h11-12H,1-8H3,(H,15,16)/t12?,14-/m1/s1
InChIKeyXCIZZYHBEAPHOA-TYZXPVIJSA-N
MW297.55 g/mol
LogP2.61
Rot. Bonds3

About (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one

(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one (PubChem CID 10851569) has the molecular formula C14H27NO2Si2 and a molecular weight of 297.55 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
PubChem CID10851569
Molecular FormulaC14H27NO2Si2
Molecular Weight297.55 g/mol
Exact Mass297.16
IUPAC Name(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
SMILESCC(C)[C@]1(O[Si](C)(C)C)C(=O)NC1C#C[Si](C)(C)C
InChIInChI=1S/C14H27NO2Si2/c1-11(2)14(17-19(6,7)8)12(15-13(14)16)9-10-18(3,4)5/h11-12H,1-8H3,(H,15,16)/t12?,14-/m1/s1
InChIKeyXCIZZYHBEAPHOA-TYZXPVIJSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one
CID 10754471
3-Propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 13219663
(3R,4R)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419100
(3R,4S)-3-hydroxy-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 15419101
(3S,4R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 130754525
(3S,4S)-3-propan-2-yl-4-(2-trimethylsilylethynyl)azetidin-2-one
CID 130754526

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The IUPAC name of (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one (CID 10851569) is (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one.
What is the SMILES notation for (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The canonical SMILES for (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one is CC(C)[C@]1(O[Si](C)(C)C)C(=O)NC1C#C[Si](C)(C)C.
What is the InChIKey of (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one?
The InChIKey is XCIZZYHBEAPHOA-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H27NO2Si2/c1-11(2)14(17-19(6,7)8)12(15-13(14)16)9-10-18(3,4)5/h11-12H,1-8H3,(H,15,16)/t12?,14-/m1/s1.
What are the key properties of (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one?
(3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one has a molecular weight of 297.55 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-4-(2-trimethylsilylethynyl)-3-trimethylsilyloxyazetidin-2-one is sourced from PubChem (CID 10851569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).