3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one

C20H25NO2Si — CID 173409999

IUPAC3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one
SMILESCC(C)(C)C1CN(CO[SiH](c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)18-14-21(19(18)22)15-23-24(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,24H,14-15H2,1-3H3
InChIKeyGLADSQKYIXWKPE-UHFFFAOYSA-N
MW339.51 g/mol
LogP2.00
Rot. Bonds5

About 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one

3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one (PubChem CID 173409999) has the molecular formula C20H25NO2Si and a molecular weight of 339.51 g/mol. Its IUPAC name is 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one
PubChem CID173409999
Molecular FormulaC20H25NO2Si
Molecular Weight339.51 g/mol
Exact Mass339.17
IUPAC Name3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one
SMILESCC(C)(C)C1CN(CO[SiH](c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C20H25NO2Si/c1-20(2,3)18-14-21(19(18)22)15-23-24(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,24H,14-15H2,1-3H3
InChIKeyGLADSQKYIXWKPE-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.00
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 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one?
The IUPAC name of 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one (CID 173409999) is 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one?
The canonical SMILES for 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one is CC(C)(C)C1CN(CO[SiH](c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one?
The InChIKey is GLADSQKYIXWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2Si/c1-20(2,3)18-14-21(19(18)22)15-23-24(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,24H,14-15H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one?
3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one has a molecular weight of 339.51 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(diphenylsilyloxymethyl)azetidin-2-one is sourced from PubChem (CID 173409999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).