(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one

C23H31NO2Si — CID 22844469

IUPAC(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-5-20-21(24-22(20)25)16-17-26-27(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21H,5,16-17H2,1-4H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyJVHNHZNWMFZGAQ-RTWAWAEBSA-N
MW381.59 g/mol
LogP3.48
Rot. Bonds7

About (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one

(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one (PubChem CID 22844469) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
PubChem CID22844469
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
SMILESCC[C@H]1C(=O)N[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-5-20-21(24-22(20)25)16-17-26-27(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21H,5,16-17H2,1-4H3,(H,24,25)/t20-,21+/m1/s1
InChIKeyJVHNHZNWMFZGAQ-RTWAWAEBSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.48
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-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one?
The IUPAC name of (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one (CID 22844469) is (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one is CC[C@H]1C(=O)N[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one?
The InChIKey is JVHNHZNWMFZGAQ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-5-20-21(24-22(20)25)16-17-26-27(23(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20-21H,5,16-17H2,1-4H3,(H,24,25)/t20-,21+/m1/s1.
What are the key properties of (3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one?
(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.48, 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-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one is sourced from PubChem (CID 22844469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).