1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one

C22H29NO2Si — CID 67947023

IUPAC1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-5-21(23-17-16-20(23)24)25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3
InChIKeySNDMCEIDIVXGBF-UHFFFAOYSA-N
MW367.56 g/mol
LogP3.53
Rot. Bonds6

About 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one

1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one (PubChem CID 67947023) has the molecular formula C22H29NO2Si and a molecular weight of 367.56 g/mol. Its IUPAC name is 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one.

Molecular Properties

Compound Name1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one
PubChem CID67947023
Molecular FormulaC22H29NO2Si
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one
SMILESCCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O
InChIInChI=1S/C22H29NO2Si/c1-5-21(23-17-16-20(23)24)25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3
InChIKeySNDMCEIDIVXGBF-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one?
The IUPAC name of 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one (CID 67947023) is 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one.
What is the SMILES notation for 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one?
The canonical SMILES for 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one is CCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1CCC1=O.
What is the InChIKey of 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one?
The InChIKey is SNDMCEIDIVXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-5-21(23-17-16-20(23)24)25-26(22(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,21H,5,16-17H2,1-4H3.
What are the key properties of 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one?
1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one has a molecular weight of 367.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(diphenyl)silyl]oxypropyl]azetidin-2-one is sourced from PubChem (CID 67947023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).