1-Octanol, 3,6-dimethyl-
TL;DR: 1-Octanol, 3,6-dimethyl- (CAS 68419-45-4) is a chemical compound with molecular formula C10H22O and molecular weight 158.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyloctan-1-ol
Also Known As: 1-Octanol, 3,6-dimethyl-, 3,6-dimethyloctan-1-ol
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 68419-45-4 |
|---|---|
| SMILES | CCC(C)CCC(C)CCO |
| InChIKey | PMLNJABKXSSLQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octanol, 3,6-dimethyl- (CAS 68419-45-4), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 3,6-dimethyloctan-1-ol.
Chemical Property Profile of 1-Octanol, 3,6-dimethyl-
Property Insights of 1-Octanol, 3,6-dimethyl-
The XLogP value of 3.6 indicates that 1-Octanol, 3,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octanol, 3,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanol, 3,6-dimethyl- 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 1-Octanol, 3,6-dimethyl-?
The CAS number of 1-Octanol, 3,6-dimethyl- is 68419-45-4.
What is the molecular formula of 1-Octanol, 3,6-dimethyl-?
The molecular formula of 1-Octanol, 3,6-dimethyl- is C10H22O.
What is the molecular weight of 1-Octanol, 3,6-dimethyl-?
The molecular weight of 1-Octanol, 3,6-dimethyl- is 158.17 g/mol.
Where can I buy 1-Octanol, 3,6-dimethyl-?
You can request a quote for 1-Octanol, 3,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanol, 3,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanol, 3,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.