1-Octanol, 3,7-dimethyl-, 1-formate
TL;DR: 1-Octanol, 3,7-dimethyl-, 1-formate (CAS 68214-06-2) 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.
3,7-dimethyloctyl formate
Also Known As: 3,7-Dimethyloctyl formate, Tetrahydrogeranyl formate, 3,7-Dimethyl-6-octenyl formate, 3,7-dimethyloctyl ormate, 3,7-dimethyl-1-octylformate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 68214-06-2 |
|---|---|
| SMILES | CC(C)CCCC(C)CCOC=O |
| InChIKey | AGARWNGUJKCDII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanol, 3,7-dimethyl-, 1-formate (CAS 68214-06-2), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3,7-dimethyloctyl formate.
Chemical Property Profile of 1-Octanol, 3,7-dimethyl-, 1-formate
Property Insights of 1-Octanol, 3,7-dimethyl-, 1-formate
The XLogP value of 4.2 indicates that 1-Octanol, 3,7-dimethyl-, 1-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, 1-Octanol, 3,7-dimethyl-, 1-formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanol, 3,7-dimethyl-, 1-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 1-Octanol, 3,7-dimethyl-, 1-formate?
The CAS number of 1-Octanol, 3,7-dimethyl-, 1-formate is 68214-06-2.
What is the molecular formula of 1-Octanol, 3,7-dimethyl-, 1-formate?
The molecular formula of 1-Octanol, 3,7-dimethyl-, 1-formate is C11H22O2.
What is the molecular weight of 1-Octanol, 3,7-dimethyl-, 1-formate?
The molecular weight of 1-Octanol, 3,7-dimethyl-, 1-formate is 186.16 g/mol.
Where can I buy 1-Octanol, 3,7-dimethyl-, 1-formate?
You can request a quote for 1-Octanol, 3,7-dimethyl-, 1-formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanol, 3,7-dimethyl-, 1-formate?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanol, 3,7-dimethyl-, 1-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.