3-tert-Butyladipic acid
TL;DR: 3-tert-Butyladipic acid (CAS 10347-88-3) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-tert-butylhexanedioic acid
Also Known As: 3-tert-Butyladipic acid, 3-(tert-butyl)hexanedioic acid, 3-tert-Butylhexanedioic acid, 3-t-Butyl-hexanedioic acid, 3-(tert-Butyl)hexanedioicacid
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12051 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.12051 Da |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
| SMILES | CC(C)(C)C(CCC(=O)O)CC(=O)O |
| InChIKey | LHSCNQRBIIDZCB-UHFFFAOYSA-N |
Chemical Property Profile of 3-tert-Butyladipic acid
Property Insights of 3-tert-Butyladipic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyladipic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-tert-Butyladipic acid. Following Lipinski's Rule of Five, 3-tert-Butyladipic acid has 2 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 3-tert-Butyladipic acid?
The CAS number of 3-tert-Butyladipic acid is 10347-88-3.
What is the molecular formula of 3-tert-Butyladipic acid?
The molecular formula of 3-tert-Butyladipic acid is C10H18O4.
What is the molecular weight of 3-tert-Butyladipic acid?
The molecular weight of 3-tert-Butyladipic acid is 202.12051 g/mol.
Where can I buy 3-tert-Butyladipic acid?
You can request a quote for 3-tert-Butyladipic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-tert-Butyladipic acid?
Yes, CoreyChem provides custom synthesis services for 3-tert-Butyladipic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.