2,2,4-Trimethyl-1-pentanol
TL;DR: 2,2,4-Trimethyl-1-pentanol (CAS 123-44-4) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentan-1-ol
Also Known As: 2,2,4-Trimethylpentan-1-ol, 2,2,4-TRIMETHYL-1-PENTANOL, 2,2,4-Trimethylpentanol, 1-Pentanol, 2,2,4-trimethyl-, Prolonium iodide
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| Vapor Pressure | 0.49 [mmHg] |
Chemical Identifiers
| CAS Number | 123-44-4 |
|---|---|
| SMILES | CC(C)CC(C)(C)CO |
| InChIKey | CWPPDTVYIJETDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-1-pentanol (CAS 123-44-4), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2,2,4-trimethylpentan-1-ol.
Chemical Property Profile of 2,2,4-Trimethyl-1-pentanol
Property Insights of 2,2,4-Trimethyl-1-pentanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-1-pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,2,4-Trimethyl-1-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1-pentanol 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 2,2,4-Trimethyl-1-pentanol?
The CAS number of 2,2,4-Trimethyl-1-pentanol is 123-44-4.
What is the molecular formula of 2,2,4-Trimethyl-1-pentanol?
The molecular formula of 2,2,4-Trimethyl-1-pentanol is C8H18O.
What is the molecular weight of 2,2,4-Trimethyl-1-pentanol?
The molecular weight of 2,2,4-Trimethyl-1-pentanol is 130.14 g/mol.
Where can I buy 2,2,4-Trimethyl-1-pentanol?
You can request a quote for 2,2,4-Trimethyl-1-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-1-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.