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

C26H45NO4Si2 — CID 13018172

IUPACbenzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1CC(=O)OCc1ccccc1
InChIInChI=1S/C26H45NO4Si2/c1-19(31-33(10,11)26(5,6)7)23-21(27(24(23)29)32(8,9)25(2,3)4)17-22(28)30-18-20-15-13-12-14-16-20/h12-16,19,21,23H,17-18H2,1-11H3
InChIKeyIUBMEQWLFXOOST-UHFFFAOYSA-N
MW491.82 g/mol
LogP6.36
Rot. Bonds8

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

benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (PubChem CID 13018172) has the molecular formula C26H45NO4Si2 and a molecular weight of 491.82 g/mol. Its IUPAC name is benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
PubChem CID13018172
Molecular FormulaC26H45NO4Si2
Molecular Weight491.82 g/mol
Exact Mass491.29
IUPAC Namebenzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
SMILESCC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1CC(=O)OCc1ccccc1
InChIInChI=1S/C26H45NO4Si2/c1-19(31-33(10,11)26(5,6)7)23-21(27(24(23)29)32(8,9)25(2,3)4)17-22(28)30-18-20-15-13-12-14-16-20/h12-16,19,21,23H,17-18H2,1-11H3
InChIKeyIUBMEQWLFXOOST-UHFFFAOYSA-N
XLogP6.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.82
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-4-[(1R)-1-benzyloxycarbonylethyl]azetidin-2-one
CID 11784145
benzyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504336
Methyl 2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(dimethylamino)-5-phenylmethoxypentanoate
CID 10836061
(3S,4S)-3-[(1R)-1-t-butyldimethylsilyloxyethyl]-4-[(1R)-1-benzyloxycarbonylethyl]-1-(t-butyloxycarbonylmethyl)azetidin-2-one
CID 10255617
benzyl (2S)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-2-yl]propanoate
CID 10391464
benzyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate
CID 10992470
N-(t-butyldimethylsilyl)-4-(3-benzyloxycarbonyl-2-hydroxypropyl)-azetidin-2-one
CID 12804719
N-(t-butyldimethylsilyl)-4-(3-benzyloxycarbonyl-2-oxopropyl)-azetidin-2-one
CID 12804720
(3SR,4RS)-3-[1(SR)-hydroxyethyl]-2-oxoazetidine-4-yl-acetic acid benzyl ester
CID 13018169
benzyl 2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]acetate
CID 13018171
(3S,4R)-1-(t-butyldimethylsilyl)-3-[(R)-1-(t-butyldimethylsilyloxy)ethyl]-4-(3-benzyloxycarbonyl-2-hydroxypropyl)-azetidin-2-one
CID 13104634
benzyl 2-[3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoate
CID 13504334

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The IUPAC name of benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate (CID 13018172) is benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The canonical SMILES for benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is CC(O[Si](C)(C)C(C)(C)C)C1C(=O)N([Si](C)(C)C(C)(C)C)C1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
The InChIKey is IUBMEQWLFXOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO4Si2/c1-19(31-33(10,11)26(5,6)7)23-21(27(24(23)29)32(8,9)25(2,3)4)17-22(28)30-18-20-15-13-12-14-16-20/h12-16,19,21,23H,17-18H2,1-11H3.
What are the key properties of benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate?
benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate has a molecular weight of 491.82 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-[tert-butyl(dimethyl)silyl]-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetate is sourced from PubChem (CID 13018172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).