(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one

C13H26ClNOSi — CID 58506554

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one
SMILESC[C@H]1[C@H](CCCCl)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26ClNOSi/c1-10-11(8-7-9-14)12(16)15(10)17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyFXFZZVZEBITAPZ-QWRGUYRKSA-N
MW275.90 g/mol
LogP3.86
Rot. Bonds4

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one (PubChem CID 58506554) has the molecular formula C13H26ClNOSi and a molecular weight of 275.90 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one
PubChem CID58506554
Molecular FormulaC13H26ClNOSi
Molecular Weight275.90 g/mol
Exact Mass275.15
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one
SMILESC[C@H]1[C@H](CCCCl)C(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26ClNOSi/c1-10-11(8-7-9-14)12(16)15(10)17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyFXFZZVZEBITAPZ-QWRGUYRKSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.90
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one (CID 58506554) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one is C[C@H]1[C@H](CCCCl)C(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one?
The InChIKey is FXFZZVZEBITAPZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26ClNOSi/c1-10-11(8-7-9-14)12(16)15(10)17(5,6)13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one has a molecular weight of 275.90 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3-(3-chloropropyl)-4-methylazetidin-2-one is sourced from PubChem (CID 58506554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).