tert-butyl (3aR,4R,6S,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

C33H47NO5Si — CID 25023241

IUPACtert-butyl (3aR,4R,6S,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
SMILESC=CCC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C33H47NO5Si/c1-10-11-22-26-28-29(38-33(8,9)37-28)27(34(26)30(35)39-31(2,3)4)23-36-40(32(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h10,12-21,26-29H,1,11,22-23H2,2-9H3/t26-,27+,28-,29+/m0/s1
InChIKeyXECNXAYUQNJSRG-ICYKMPLBSA-N
MW565.83 g/mol
LogP6.04
Rot. Bonds8

About tert-butyl (3aR,4R,6S,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

tert-butyl (3aR,4R,6S,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 (PubChem CID 25023241) has the molecular formula C33H47NO5Si and a molecular weight of 565.83 g/mol. Its IUPAC name is tert-butyl (3aR,4R,6S,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.

Molecular Properties

Compound Nametert-butyl (3aR,4R,6S,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
PubChem CID25023241
Molecular FormulaC33H47NO5Si
Molecular Weight565.83 g/mol
Exact Mass565.32
IUPAC Nametert-butyl (3aR,4R,6S,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
SMILESC=CCC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C33H47NO5Si/c1-10-11-22-26-28-29(38-33(8,9)37-28)27(34(26)30(35)39-31(2,3)4)23-36-40(32(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h10,12-21,26-29H,1,11,22-23H2,2-9H3/t26-,27+,28-,29+/m0/s1
InChIKeyXECNXAYUQNJSRG-ICYKMPLBSA-N
XLogP6.04
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.83
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (3aR,4R,6S,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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 10769369
tert-butyl (3R,3aS,6R,6aS)-3-[tert-butyl(diphenyl)silyl]oxy-6-chloro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 57551956
tert-butyl (3aS,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(cyanomethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 58676031
Tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67033521
Tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-(2-methoxyethoxymethyl)pyrrolidine-1-carboxylate
CID 67033698
(2S,4S)-tert-butyl 4-(tert-butyldiphenylsilyloxy)-2-((2-methoxyethoxy)methyl)pyrrolidine-1-carboxylate
CID 67034316
(2R,4R)-tert-butyl 4-(tert-butyldiphenylsilyloxy)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67044055
Butyl 4-[tert-butyl(diphenyl)silyl]oxy-2-(2-methoxyethoxymethyl)pyrrolidine-1-carboxylate
CID 68296873
tert-butyl N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 90339369
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-methoxypropoxy)pyrrolidine-1-carboxylate
CID 140698051
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-pentoxypyrrolidine-1-carboxylate
CID 140741832
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
CID 163225699

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3aR,4R,6S,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?
The IUPAC name of tert-butyl (3aR,4R,6S,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 25023241) is tert-butyl (3aR,4R,6S,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.
What is the SMILES notation for tert-butyl (3aR,4R,6S,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?
The canonical SMILES for tert-butyl (3aR,4R,6S,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 is C=CCC[C@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3aR,4R,6S,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?
The InChIKey is XECNXAYUQNJSRG-ICYKMPLBSA-N. The full InChI is InChI=1S/C33H47NO5Si/c1-10-11-22-26-28-29(38-33(8,9)37-28)27(34(26)30(35)39-31(2,3)4)23-36-40(32(5,6)7,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h10,12-21,26-29H,1,11,22-23H2,2-9H3/t26-,27+,28-,29+/m0/s1.
What are the key properties of tert-butyl (3aR,4R,6S,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?
tert-butyl (3aR,4R,6S,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 has a molecular weight of 565.83 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3aR,4R,6S,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 is sourced from PubChem (CID 25023241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).