(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one

C20H41NO4Si2 — CID 57183497

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H41NO4Si2/c1-13(17(22)20(6,7)25-26(8,9)10)16-15(18(23)21-16)14(2)24-27(11,12)19(3,4)5/h13-16H,1-12H3,(H,21,23)/t13-,14-,15-,16-/m1/s1
InChIKeyPYEIJLXNIUTREA-KLHDSHLOSA-N
MW415.72 g/mol
LogP4.35
Rot. Bonds8

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one (PubChem CID 57183497) has the molecular formula C20H41NO4Si2 and a molecular weight of 415.72 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one
PubChem CID57183497
Molecular FormulaC20H41NO4Si2
Molecular Weight415.72 g/mol
Exact Mass415.26
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C20H41NO4Si2/c1-13(17(22)20(6,7)25-26(8,9)10)16-15(18(23)21-16)14(2)24-27(11,12)19(3,4)5/h13-16H,1-12H3,(H,21,23)/t13-,14-,15-,16-/m1/s1
InChIKeyPYEIJLXNIUTREA-KLHDSHLOSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.72
LogP ≤ 54.35
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 (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one (CID 57183497) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one?
The InChIKey is PYEIJLXNIUTREA-KLHDSHLOSA-N. The full InChI is InChI=1S/C20H41NO4Si2/c1-13(17(22)20(6,7)25-26(8,9)10)16-15(18(23)21-16)14(2)24-27(11,12)19(3,4)5/h13-16H,1-12H3,(H,21,23)/t13-,14-,15-,16-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one has a molecular weight of 415.72 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(2R)-4-methyl-3-oxo-4-trimethylsilyloxypentan-2-yl]azetidin-2-one is sourced from PubChem (CID 57183497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).