Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester
TL;DR: Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester (CAS 101564-57-2) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 2-tert-butyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Also Known As: 3-Quinuclidyl tert-butyl(3-methyl-but-1-yn-3-enyl)glycolate A, 3-Quinuclidyl-tert-butyl(3-methyl-but-1-yn-3-enyl)glycolate B, HEXA-3-YN-5-ENOIC ACID, 2-tert-BUTYL-2-HYDROXY-5-METHYL-, 3-QUINUCLIDINYL ESTER, 3-Quinuclidyltert-butyl(3-methyl-but-1-yn-3-enyl)glycolateA, 1-azabicyclo[2.2.2]octan-3-yl 2-tert-butyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Technical Specifications
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.1991 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1991 Da |
| Heavy Atoms | 22 |
| Complexity | 526.0 |
| SMILES | CC(=C)C#CC(C(=O)OC1CN2CCC1CC2)(C(C)(C)C)O |
| InChIKey | FHQBDURVDDBJAI-UHFFFAOYSA-N |
Chemical Property Profile of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester
Property Insights of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester
The XLogP value of 3.5 indicates that Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester?
The CAS number of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester is 101564-57-2.
What is the molecular formula of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester?
The molecular formula of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester is C18H27NO3.
What is the molecular weight of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester?
The molecular weight of Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester is 305.1991 g/mol.
Where can I buy Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester?
You can request a quote for Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Hexa-3-yn-5-enoic acid, 2-tert-butyl-2-hydroxy-5-methyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.