5,7,7-Trimethyl-2-octenoic acid
TL;DR: 5,7,7-Trimethyl-2-octenoic acid (CAS 85187-12-8) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,7-trimethyloct-2-enoic acid
Also Known As: 5,7,7-Trimethyloct-2-enoic acid, 5,7,7-Trimethyl-2-octenoic acid, 2-Octenoic acid,5,7,7-trimethyl-
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.0896 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 186.75719 |
Chemical Identifiers
| CAS Number | 85187-12-8 |
|---|---|
| SMILES | CC(CC=CC(=O)O)CC(C)(C)C |
Product Overview
5,7,7-Trimethyl-2-octenoic acid (CAS 85187-12-8), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 5,7,7-trimethyloct-2-enoic acid.
Chemical Property Profile of 5,7,7-Trimethyl-2-octenoic acid
Property Insights of 5,7,7-Trimethyl-2-octenoic acid
The XLogP value of 3.0896 indicates that 5,7,7-Trimethyl-2-octenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5,7,7-Trimethyl-2-octenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,7-Trimethyl-2-octenoic acid has 1 hydrogen bond donor(s) and 1 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 5,7,7-Trimethyl-2-octenoic acid?
The CAS number of 5,7,7-Trimethyl-2-octenoic acid is 85187-12-8.
What is the molecular formula of 5,7,7-Trimethyl-2-octenoic acid?
The molecular formula of 5,7,7-Trimethyl-2-octenoic acid is C11H20O2.
What is the molecular weight of 5,7,7-Trimethyl-2-octenoic acid?
The molecular weight of 5,7,7-Trimethyl-2-octenoic acid is 184.15 g/mol.
Where can I buy 5,7,7-Trimethyl-2-octenoic acid?
You can request a quote for 5,7,7-Trimethyl-2-octenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,7-Trimethyl-2-octenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,7,7-Trimethyl-2-octenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.