3-Quinuclidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate

Base Information

• Chemical Name: 3-Quinuclidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate
• CAS No.: 92955-92-5
• Molecular Formula: C19H27NO3
• Molecular Weight: 317.42
• DSSTox Substance ID: DTXSID30918846
• Nikkaji Number: J77.951B
• Mol file: 92955-92-5.mol

Synonyms:3-Quinuclidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate;92955-92-5;alpha-(3-Methylbut-1-yn-3-enyl)cyclopentaneglycolic acid 3-quinuclidinyl ester;Cyclopentaneglycolic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 3-quinuclidinyl ester;DTXSID30918846;1-azabicyclo[2.2.2]octan-3-yl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate

Chemical Property of 3-Quinuclidyl cyclopentyl(3-methyl-but-1-yn-3-enyl)glycolate

Chemical Property:

• PSA: 49.77000
• LogP: 2.06250
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 317.19909372
• Heavy Atom Count: 23
• Complexity: 544

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O