(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one

C13H23NO2Si — CID 134855252

IUPAC(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one
SMILESC#C[C@H]1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23NO2Si/c1-8-10-11(12(15)14-10)9(2)16-17(6,7)13(3,4)5/h1,9-11H,2-7H3,(H,14,15)/t9-,10-,11?/m1/s1
InChIKeyPDQIAGQCOJXQEU-DIOIDXFWSA-N
MW253.42 g/mol
LogP2.14
Rot. Bonds3

About (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one

(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one (PubChem CID 134855252) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one
PubChem CID134855252
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one
SMILESC#C[C@H]1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23NO2Si/c1-8-10-11(12(15)14-10)9(2)16-17(6,7)13(3,4)5/h1,9-11H,2-7H3,(H,14,15)/t9-,10-,11?/m1/s1
InChIKeyPDQIAGQCOJXQEU-DIOIDXFWSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one?
The IUPAC name of (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one (CID 134855252) is (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one.
What is the SMILES notation for (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one?
The canonical SMILES for (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one is C#C[C@H]1NC(=O)C1[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one?
The InChIKey is PDQIAGQCOJXQEU-DIOIDXFWSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-8-10-11(12(15)14-10)9(2)16-17(6,7)13(3,4)5/h1,9-11H,2-7H3,(H,14,15)/t9-,10-,11?/m1/s1.
What are the key properties of (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one?
(4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one has a molecular weight of 253.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethynylazetidin-2-one is sourced from PubChem (CID 134855252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).