tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

C29H39NO6Si — CID 25023182

IUPACtert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H39NO6Si/c1-27(2,3)36-26(32)30-22(23-24(25(30)31)35-29(7,8)34-23)19-33-37(28(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,19H2,1-8H3/t22-,23-,24-/m1/s1
InChIKeyOAEYQSJHPAFWQA-WXFUMESZSA-N
MW525.72 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate

tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate (PubChem CID 25023182) has the molecular formula C29H39NO6Si and a molecular weight of 525.72 g/mol. Its IUPAC name is tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
PubChem CID25023182
Molecular FormulaC29H39NO6Si
Molecular Weight525.72 g/mol
Exact Mass525.25
IUPAC Nametert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H39NO6Si/c1-27(2,3)36-26(32)30-22(23-24(25(30)31)35-29(7,8)34-23)19-33-37(28(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,19H2,1-8H3/t22-,23-,24-/m1/s1
InChIKeyOAEYQSJHPAFWQA-WXFUMESZSA-N
XLogP4.23
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.72
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 89850655
tert-butyl (3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 89850657
tert-butyl (2R,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxy-5-oxopyrrolidine-1-carboxylate
CID 140618864
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate
CID 141667431
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate
CID 175579793
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylate
CID 175579795
tert-butyl (2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[ethoxy(diphenyl)silyl]oxy-5-oxopyrrolidine-1-carboxylate
CID 10674608
tert-butyl (2R,3R,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-bis(methoxymethoxy)-5-oxopyrrolidine-1-carboxylate
CID 11017255
tert-butyl (2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 11763991
tert-butyl (3aR,4R,6aS)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 16069461
tert-butyl (5S,8S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 23727392
tert-butyl (3aR,4R,6R,6aS)-6-but-3-enyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 25023184

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate (CID 25023182) is tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate is CC(C)(C)OC(=O)N1C(=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
The InChIKey is OAEYQSJHPAFWQA-WXFUMESZSA-N. The full InChI is InChI=1S/C29H39NO6Si/c1-27(2,3)36-26(32)30-22(23-24(25(30)31)35-29(7,8)34-23)19-33-37(28(4,5)6,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22-24H,19H2,1-8H3/t22-,23-,24-/m1/s1.
What are the key properties of tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate?
tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate has a molecular weight of 525.72 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3aR,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4-oxo-6,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate is sourced from PubChem (CID 25023182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).