4,7-Dimethyl-4-octanol
TL;DR: 4,7-Dimethyl-4-octanol (CAS 19781-13-6) 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.
4,7-dimethyloctan-4-ol
Also Known As: 4,7-Dimethyloctan-4-ol, 4,7-Dimethyl-4-octanol, 4-Octanol, 4,7-dimethyl-, 2.5-Dimethyloctanol-5, 4-Octanol,4,7-dimethyl-
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.16707 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 19781-13-6 |
|---|---|
| SMILES | CCCC(C)(CCC(C)C)O |
| InChIKey | OTISWHNJCUMBFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Dimethyl-4-octanol (CAS 19781-13-6), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 4,7-dimethyloctan-4-ol.
Chemical Property Profile of 4,7-Dimethyl-4-octanol
Property Insights of 4,7-Dimethyl-4-octanol
The XLogP value of 3.1 indicates that 4,7-Dimethyl-4-octanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,7-Dimethyl-4-octanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dimethyl-4-octanol 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 4,7-Dimethyl-4-octanol?
The CAS number of 4,7-Dimethyl-4-octanol is 19781-13-6.
What is the molecular formula of 4,7-Dimethyl-4-octanol?
The molecular formula of 4,7-Dimethyl-4-octanol is C10H22O.
What is the molecular weight of 4,7-Dimethyl-4-octanol?
The molecular weight of 4,7-Dimethyl-4-octanol is 158.17 g/mol.
Where can I buy 4,7-Dimethyl-4-octanol?
You can request a quote for 4,7-Dimethyl-4-octanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dimethyl-4-octanol?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dimethyl-4-octanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.