(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one

C25H27NO3Si — CID 10740697

IUPAC(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@@H]1CC(=O)N1
InChIInChI=1S/C25H27NO3Si/c1-20(29-25-19-24(27)26-25)17-18-28-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3,(H,26,27)/t20-,25-/m1/s1
InChIKeyVONRILQHQKKZSU-CJFMBICVSA-N
MW417.58 g/mol
LogP2.31
Rot. Bonds9

About (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one

(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one (PubChem CID 10740697) has the molecular formula C25H27NO3Si and a molecular weight of 417.58 g/mol. Its IUPAC name is (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one
PubChem CID10740697
Molecular FormulaC25H27NO3Si
Molecular Weight417.58 g/mol
Exact Mass417.18
IUPAC Name(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one
SMILESC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@@H]1CC(=O)N1
InChIInChI=1S/C25H27NO3Si/c1-20(29-25-19-24(27)26-25)17-18-28-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3,(H,26,27)/t20-,25-/m1/s1
InChIKeyVONRILQHQKKZSU-CJFMBICVSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one?
The IUPAC name of (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one (CID 10740697) is (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one is C[C@H](CCO[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[C@@H]1CC(=O)N1.
What is the InChIKey of (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one?
The InChIKey is VONRILQHQKKZSU-CJFMBICVSA-N. The full InChI is InChI=1S/C25H27NO3Si/c1-20(29-25-19-24(27)26-25)17-18-28-30(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3,(H,26,27)/t20-,25-/m1/s1.
What are the key properties of (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one?
(4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one has a molecular weight of 417.58 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-4-triphenylsilyloxybutan-2-yl]oxyazetidin-2-one is sourced from PubChem (CID 10740697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).