1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one

C22H29NO2Si — CID 67947022

IUPAC1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-18(23-16-15-21(23)24)17-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyOQZPMBRMELFQBY-SFHVURJKSA-N
MW367.56 g/mol
LogP3.18
Rot. Bonds6

About 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one

1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one (PubChem CID 67947022) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one
PubChem CID67947022
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-18(23-16-15-21(23)24)17-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyOQZPMBRMELFQBY-SFHVURJKSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
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 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one?
The IUPAC name of 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one (CID 67947022) is 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one.
What is the SMILES notation for 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one?
The canonical SMILES for 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O.
What is the InChIKey of 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one?
The InChIKey is OQZPMBRMELFQBY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-18(23-16-15-21(23)24)17-25-26(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18H,15-17H2,1-4H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one?
1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]azetidin-2-one is sourced from PubChem (CID 67947022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).