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

C16H33NO2Si2 — CID 10711323

IUPAC(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one
SMILESC=C[Si](C)(C)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si2/c1-10-20(6,7)11-13-14(15(18)17-13)12(2)19-21(8,9)16(3,4)5/h10,12-14H,1,11H2,2-9H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyRCAAEIVRTHWQAR-MGPQQGTHSA-N
MW327.62 g/mol
LogP3.94
Rot. Bonds6

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

(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one (PubChem CID 10711323) has the molecular formula C16H33NO2Si2 and a molecular weight of 327.62 g/mol. Its IUPAC name is (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one
PubChem CID10711323
Molecular FormulaC16H33NO2Si2
Molecular Weight327.62 g/mol
Exact Mass327.20
IUPAC Name(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one
SMILESC=C[Si](C)(C)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO2Si2/c1-10-20(6,7)11-13-14(15(18)17-13)12(2)19-21(8,9)16(3,4)5/h10,12-14H,1,11H2,2-9H3,(H,17,18)/t12-,13-,14-/m1/s1
InChIKeyRCAAEIVRTHWQAR-MGPQQGTHSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.62
LogP ≤ 53.94
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 (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one (CID 10711323) is (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one is C=C[Si](C)(C)C[C@H]1NC(=O)[C@@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one?
The InChIKey is RCAAEIVRTHWQAR-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H33NO2Si2/c1-10-20(6,7)11-13-14(15(18)17-13)12(2)19-21(8,9)16(3,4)5/h10,12-14H,1,11H2,2-9H3,(H,17,18)/t12-,13-,14-/m1/s1.
What are the key properties of (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one?
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one has a molecular weight of 327.62 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[[ethenyl(dimethyl)silyl]methyl]azetidin-2-one is sourced from PubChem (CID 10711323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).