4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one

C29H35NO3Si — CID 23254557

IUPAC4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(26-11-7-5-8-12-26,27-13-9-6-10-14-27)33-20-19-24-21-28(31)30(24)22-23-15-17-25(32-4)18-16-23/h5-18,24H,19-22H2,1-4H3
InChIKeyMICKQWVCIVGGTH-UHFFFAOYSA-N
MW473.69 g/mol
LogP4.76
Rot. Bonds9

About 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one

4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one (PubChem CID 23254557) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
PubChem CID23254557
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC Name4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)CC2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(26-11-7-5-8-12-26,27-13-9-6-10-14-27)33-20-19-24-21-28(31)30(24)22-23-15-17-25(32-4)18-16-23/h5-18,24H,19-22H2,1-4H3
InChIKeyMICKQWVCIVGGTH-UHFFFAOYSA-N
XLogP4.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one (CID 23254557) is 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one is COc1ccc(CN2C(=O)CC2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
The InChIKey is MICKQWVCIVGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(26-11-7-5-8-12-26,27-13-9-6-10-14-27)33-20-19-24-21-28(31)30(24)22-23-15-17-25(32-4)18-16-23/h5-18,24H,19-22H2,1-4H3.
What are the key properties of 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one?
4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one has a molecular weight of 473.69 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(4-methoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 23254557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).