3,5,5-Trimethylhexanoic acid
TL;DR: 3,5,5-Trimethylhexanoic acid (CAS 3302-10-1) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexanoic acid
Also Known As: 3,5,5-Trimethylhexanoic acid, Isononylic acid, ISONONANOIC ACID, Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanoicacid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
| Vapor Pressure | 0.23 [mmHg] |
Chemical Identifiers
| CAS Number | 3302-10-1 |
|---|---|
| SMILES | CC(CC(=O)O)CC(C)(C)C |
| InChIKey | OILUAKBAMVLXGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5,5-Trimethylhexanoic acid (CAS 3302-10-1), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3,5,5-trimethylhexanoic acid.
Chemical Property Profile of 3,5,5-Trimethylhexanoic acid
Property Insights of 3,5,5-Trimethylhexanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethylhexanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5,5-Trimethylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5,5-Trimethylhexanoic acid?
The CAS number of 3,5,5-Trimethylhexanoic acid is 3302-10-1.
What is the molecular formula of 3,5,5-Trimethylhexanoic acid?
The molecular formula of 3,5,5-Trimethylhexanoic acid is C9H18O2.
What is the molecular weight of 3,5,5-Trimethylhexanoic acid?
The molecular weight of 3,5,5-Trimethylhexanoic acid is 158.13 g/mol.
Where can I buy 3,5,5-Trimethylhexanoic acid?
You can request a quote for 3,5,5-Trimethylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.