2-Octanol, 2,6-dimethyl-, 2-formate
TL;DR: 2-Octanol, 2,6-dimethyl-, 2-formate (CAS 72785-17-2) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyloctan-2-yl formate
Also Known As: 2,6-Dimethyloctan-2-yl formate, 2,6-Dimethyl-2-octyl formate, 2-Octanol, 2,6-dimethyl-, formate, 2,6-dimethyl-2-octylformate, 2-Octanol, 2,6-dimethyl-, 2-formate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 72785-17-2 |
|---|---|
| SMILES | CCC(C)CCCC(C)(C)OC=O |
| InChIKey | KQZSQDZXBHFWGC-UHFFFAOYSA-N |
Product Overview
2-Octanol, 2,6-dimethyl-, 2-formate (CAS 72785-17-2), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2,6-dimethyloctan-2-yl formate.
Chemical Property Profile of 2-Octanol, 2,6-dimethyl-, 2-formate
Property Insights of 2-Octanol, 2,6-dimethyl-, 2-formate
The XLogP value of 3.9 indicates that 2-Octanol, 2,6-dimethyl-, 2-formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Octanol, 2,6-dimethyl-, 2-formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octanol, 2,6-dimethyl-, 2-formate has 0 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 2-Octanol, 2,6-dimethyl-, 2-formate?
The CAS number of 2-Octanol, 2,6-dimethyl-, 2-formate is 72785-17-2.
What is the molecular formula of 2-Octanol, 2,6-dimethyl-, 2-formate?
The molecular formula of 2-Octanol, 2,6-dimethyl-, 2-formate is C11H22O2.
What is the molecular weight of 2-Octanol, 2,6-dimethyl-, 2-formate?
The molecular weight of 2-Octanol, 2,6-dimethyl-, 2-formate is 186.16 g/mol.
Where can I buy 2-Octanol, 2,6-dimethyl-, 2-formate?
You can request a quote for 2-Octanol, 2,6-dimethyl-, 2-formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octanol, 2,6-dimethyl-, 2-formate?
Yes, KEHONG BIO provides custom synthesis services for 2-Octanol, 2,6-dimethyl-, 2-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.