(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one

C20H45NO3Si3 — CID 173386173

IUPAC(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one
SMILESC[SiH](C)OC[C@@H](C(C)(C)C)[C@]1([SiH](C)C)C(=O)N(C(C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C20H45NO3Si3/c1-18(2,3)15(14-23-26(9)10)20(25(7)8)16(22)21(19(4,5)6)17(20)24-27(11,12)13/h15,17,25-26H,14H2,1-13H3/t15-,17+,20-/m0/s1
InChIKeyGVFCWQOEBVLTPV-VPWXQRGCSA-N
MW431.84 g/mol
LogP4.69
Rot. Bonds7

About (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one

(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one (PubChem CID 173386173) has the molecular formula C20H45NO3Si3 and a molecular weight of 431.84 g/mol. Its IUPAC name is (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one
PubChem CID173386173
Molecular FormulaC20H45NO3Si3
Molecular Weight431.84 g/mol
Exact Mass431.27
IUPAC Name(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one
SMILESC[SiH](C)OC[C@@H](C(C)(C)C)[C@]1([SiH](C)C)C(=O)N(C(C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C20H45NO3Si3/c1-18(2,3)15(14-23-26(9)10)20(25(7)8)16(22)21(19(4,5)6)17(20)24-27(11,12)13/h15,17,25-26H,14H2,1-13H3/t15-,17+,20-/m0/s1
InChIKeyGVFCWQOEBVLTPV-VPWXQRGCSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.84
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one?
The IUPAC name of (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one (CID 173386173) is (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one?
The canonical SMILES for (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one is C[SiH](C)OC[C@@H](C(C)(C)C)[C@]1([SiH](C)C)C(=O)N(C(C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one?
The InChIKey is GVFCWQOEBVLTPV-VPWXQRGCSA-N. The full InChI is InChI=1S/C20H45NO3Si3/c1-18(2,3)15(14-23-26(9)10)20(25(7)8)16(22)21(19(4,5)6)17(20)24-27(11,12)13/h15,17,25-26H,14H2,1-13H3/t15-,17+,20-/m0/s1.
What are the key properties of (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one?
(3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one has a molecular weight of 431.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-tert-butyl-3-dimethylsilyl-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-trimethylsilyloxyazetidin-2-one is sourced from PubChem (CID 173386173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).