(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C16H33NO2Si — CID 10859536

IUPAC(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO2Si/c1-10(2)9-14-15(16(18)17-14)19-20(11(3)4,12(5)6)13(7)8/h10-15H,9H2,1-8H3,(H,17,18)/t14-,15+/m0/s1
InChIKeyHMAYMAGIBRRASM-LSDHHAIUSA-N
MW299.53 g/mol
LogP4.09
Rot. Bonds7

About (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 10859536) has the molecular formula C16H33NO2Si and a molecular weight of 299.53 g/mol. Its IUPAC name is (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID10859536
Molecular FormulaC16H33NO2Si
Molecular Weight299.53 g/mol
Exact Mass299.23
IUPAC Name(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO2Si/c1-10(2)9-14-15(16(18)17-14)19-20(11(3)4,12(5)6)13(7)8/h10-15H,9H2,1-8H3,(H,17,18)/t14-,15+/m0/s1
InChIKeyHMAYMAGIBRRASM-LSDHHAIUSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.53
LogP ≤ 54.09
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 (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 10859536) is (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is CC(C)C[C@@H]1NC(=O)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is HMAYMAGIBRRASM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H33NO2Si/c1-10(2)9-14-15(16(18)17-14)19-20(11(3)4,12(5)6)13(7)8/h10-15H,9H2,1-8H3,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 299.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-methylpropyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 10859536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).