ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate

C30H39NO8Si — CID 10793149

IUPACethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)ON1[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C30H39NO8Si/c1-7-34-28(33)22-18-24(32)39-31(22)27-26-25(37-30(5,6)38-26)23(36-27)19-35-40(29(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25-27H,7,18-19H2,1-6H3/t22-,23-,25-,26-,27-/m1/s1
InChIKeyKKENZRZYRNEGPY-WQWGDOPQSA-N
MW569.73 g/mol
LogP2.90
Rot. Bonds8

About ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate

ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate (PubChem CID 10793149) has the molecular formula C30H39NO8Si and a molecular weight of 569.73 g/mol. Its IUPAC name is ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate
PubChem CID10793149
Molecular FormulaC30H39NO8Si
Molecular Weight569.73 g/mol
Exact Mass569.24
IUPAC Nameethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CC(=O)ON1[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C30H39NO8Si/c1-7-34-28(33)22-18-24(32)39-31(22)27-26-25(37-30(5,6)38-26)23(36-27)19-35-40(29(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25-27H,7,18-19H2,1-6H3/t22-,23-,25-,26-,27-/m1/s1
InChIKeyKKENZRZYRNEGPY-WQWGDOPQSA-N
XLogP2.90
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.73
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate (CID 10793149) is ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1CC(=O)ON1[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate?
The InChIKey is KKENZRZYRNEGPY-WQWGDOPQSA-N. The full InChI is InChI=1S/C30H39NO8Si/c1-7-34-28(33)22-18-24(32)39-31(22)27-26-25(37-30(5,6)38-26)23(36-27)19-35-40(29(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,22-23,25-27H,7,18-19H2,1-6H3/t22-,23-,25-,26-,27-/m1/s1.
What are the key properties of ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate?
ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate has a molecular weight of 569.73 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-2-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-oxo-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).