prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate

C28H50N2O6Si2 — CID 15117234

IUPACprop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)=CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H50N2O6Si2/c1-13-14-34-26(33)30-17-20(15-21(30)18-35-37(9,10)27(3,4)5)23(31)16-22-24(25(32)29-22)19(2)36-38(11,12)28(6,7)8/h13,15,19,21-22,24H,1,14,16-18H2,2-12H3,(H,29,32)/t19-,21?,22-,24-/m1/s1
InChIKeyHURRKUJDJSFLGK-OXOXDQGJSA-N
MW566.89 g/mol
LogP5.43
Rot. Bonds11

About prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate

prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 15117234) has the molecular formula C28H50N2O6Si2 and a molecular weight of 566.89 g/mol. Its IUPAC name is prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID15117234
Molecular FormulaC28H50N2O6Si2
Molecular Weight566.89 g/mol
Exact Mass566.32
IUPAC Nameprop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
SMILESC=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)=CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H50N2O6Si2/c1-13-14-34-26(33)30-17-20(15-21(30)18-35-37(9,10)27(3,4)5)23(31)16-22-24(25(32)29-22)19(2)36-38(11,12)28(6,7)8/h13,15,19,21-22,24H,1,14,16-18H2,2-12H3,(H,29,32)/t19-,21?,22-,24-/m1/s1
InChIKeyHURRKUJDJSFLGK-OXOXDQGJSA-N
XLogP5.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.89
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate (CID 15117234) is prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate is C=CCOC(=O)N1CC(C(=O)C[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)=CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is HURRKUJDJSFLGK-OXOXDQGJSA-N. The full InChI is InChI=1S/C28H50N2O6Si2/c1-13-14-34-26(33)30-17-20(15-21(30)18-35-37(9,10)27(3,4)5)23(31)16-22-24(25(32)29-22)19(2)36-38(11,12)28(6,7)8/h13,15,19,21-22,24H,1,14,16-18H2,2-12H3,(H,29,32)/t19-,21?,22-,24-/m1/s1.
What are the key properties of prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate?
prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 566.89 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]acetyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 15117234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).