(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C17H33NO5Si — CID 16744022

IUPAC(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOCCOCO[C@@H]1[C@H]2CCC(=O)N2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-17(2,3)24(5,6)23-14-11-18-13(7-8-15(18)19)16(14)22-12-21-10-9-20-4/h13-14,16H,7-12H2,1-6H3/t13-,14-,16-/m1/s1
InChIKeyCFNMAFKZTOQWMQ-IIAWOOMASA-N
MW359.54 g/mol
LogP2.39
Rot. Bonds8

About (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 16744022) has the molecular formula C17H33NO5Si and a molecular weight of 359.54 g/mol. Its IUPAC name is (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID16744022
Molecular FormulaC17H33NO5Si
Molecular Weight359.54 g/mol
Exact Mass359.21
IUPAC Name(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOCCOCO[C@@H]1[C@H]2CCC(=O)N2C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO5Si/c1-17(2,3)24(5,6)23-14-11-18-13(7-8-15(18)19)16(14)22-12-21-10-9-20-4/h13-14,16H,7-12H2,1-6H3/t13-,14-,16-/m1/s1
InChIKeyCFNMAFKZTOQWMQ-IIAWOOMASA-N
XLogP2.39
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one 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 (2R)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10741255
tert-butyl (2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-oxopyrrolidine-1-carboxylate
CID 10765038
(5R,6R,7S,8R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-(methoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25105228
(3aS,4S,8aR,8bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 44234365
(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
CID 72196809

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 16744022) is (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is COCCOCO[C@@H]1[C@H]2CCC(=O)N2C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is CFNMAFKZTOQWMQ-IIAWOOMASA-N. The full InChI is InChI=1S/C17H33NO5Si/c1-17(2,3)24(5,6)23-14-11-18-13(7-8-15(18)19)16(14)22-12-21-10-9-20-4/h13-14,16H,7-12H2,1-6H3/t13-,14-,16-/m1/s1.
What are the key properties of (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 359.54 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 16744022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).