3-甲基-3-辛醇
TL;DR: 3-甲基-3-辛醇 (CAS 5340-36-3) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-3-辛醇
3-methyloctan-3-ol
Also Known As: 3-METHYL-3-OCTANOL, 3-Methyloctan-3-ol, Amylethylmethylcarbinol, 2-Ethyl-2-heptanol, 3-Octanol, 3-methyl-
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 5340-36-3 |
|---|---|
| SMILES | CCCCCC(C)(CC)O |
| InChIKey | JEWXYDDSLPIBBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-3-辛醇 (CAS 5340-36-3), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3-methyloctan-3-ol.
Chemical Property Profile of 3-甲基-3-辛醇
Property Insights of 3-甲基-3-辛醇
The XLogP value of 3.0 indicates that 3-甲基-3-辛醇 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-甲基-3-辛醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-3-辛醇 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-甲基-3-辛醇?
The CAS number of 3-甲基-3-辛醇 is 5340-36-3.
What is the molecular formula of 3-甲基-3-辛醇?
The molecular formula of 3-甲基-3-辛醇 is C9H20O.
What is the molecular weight of 3-甲基-3-辛醇?
The molecular weight of 3-甲基-3-辛醇 is 144.15 g/mol.
Where can I buy 3-甲基-3-辛醇?
You can request a quote for 3-甲基-3-辛醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-3-辛醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-3-辛醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.