3-Ethyl-3-octanol
TL;DR: 3-Ethyl-3-octanol (CAS 2051-32-3) 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-ethyloctan-3-ol
Also Known As: 3-Ethyloctan-3-ol, 3-Ethyl-3-octanol, 3-Octanol, 3-ethyl-, 3-Ethyloctane-3-ol, 3-Ethyl-3-octanol #
| Molecular Formula | C10H22O |
|---|---|
| Molecular Weight | 158.17 g/mol |
| LogP | 3.5 |
| 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 | 84.0 |
Chemical Identifiers
| CAS Number | 2051-32-3 |
|---|---|
| SMILES | CCCCCC(CC)(CC)O |
| InChIKey | NPQPNSNHYJTUSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-3-octanol (CAS 2051-32-3), with molecular formula C10H22O and molecular weight 158.17 g/mol. IUPAC: 3-ethyloctan-3-ol.
Chemical Property Profile of 3-Ethyl-3-octanol
Property Insights of 3-Ethyl-3-octanol
The XLogP value of 3.5 indicates that 3-Ethyl-3-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, 3-Ethyl-3-octanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-3-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 3-Ethyl-3-octanol?
The CAS number of 3-Ethyl-3-octanol is 2051-32-3.
What is the molecular formula of 3-Ethyl-3-octanol?
The molecular formula of 3-Ethyl-3-octanol is C10H22O.
What is the molecular weight of 3-Ethyl-3-octanol?
The molecular weight of 3-Ethyl-3-octanol is 158.17 g/mol.
Where can I buy 3-Ethyl-3-octanol?
You can request a quote for 3-Ethyl-3-octanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-octanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-octanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.