benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate

C20H29NO4Si — CID 12804720

IUPACbenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(=O)CC(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3
InChIKeyDGEBZEHTNUFIFV-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.69
Rot. Bonds7

About benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate

benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (PubChem CID 12804720) has the molecular formula C20H29NO4Si and a molecular weight of 375.54 g/mol. Its IUPAC name is benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.

Molecular Properties

Compound Namebenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
PubChem CID12804720
Molecular FormulaC20H29NO4Si
Molecular Weight375.54 g/mol
Exact Mass375.19
IUPAC Namebenzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate
SMILESCC(C)(C)[Si](C)(C)N1C(=O)CC1CC(=O)CC(=O)OCc1ccccc1
InChIInChI=1S/C20H29NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3
InChIKeyDGEBZEHTNUFIFV-UHFFFAOYSA-N
XLogP3.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The IUPAC name of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate (CID 12804720) is benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate.
What is the SMILES notation for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The canonical SMILES for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is CC(C)(C)[Si](C)(C)N1C(=O)CC1CC(=O)CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
The InChIKey is DGEBZEHTNUFIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4Si/c1-20(2,3)26(4,5)21-16(12-18(21)23)11-17(22)13-19(24)25-14-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3.
What are the key properties of benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate?
benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate has a molecular weight of 375.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-3-oxobutanoate is sourced from PubChem (CID 12804720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).