3-Ethyl-4-methylpentan-1-ol
TL;DR: 3-Ethyl-4-methylpentan-1-ol (CAS 100431-87-6) is a chemical compound with molecular formula C8H18O and molecular weight 130.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-4-methylpentan-1-ol
Also Known As: 3-ethyl-4-methylpentan-1-ol, 3-Isopropyl-1-pentanol, 3-Ethyl-4-methyl-1-pentanol, 3-ethyl-4-methylpentanol, 1-Pentanol, 3-ethyl-4-methyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O |
| Molecular Weight | 130.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 Da |
| Heavy Atoms | 9 |
| Complexity | 59.0 |
| SMILES | CCC(CCO)C(C)C |
| InChIKey | RWIFVESHBHTZEM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-4-methylpentan-1-ol
Property Insights of 3-Ethyl-4-methylpentan-1-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-4-methylpentan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Ethyl-4-methylpentan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-methylpentan-1-ol 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
What is the CAS number of 3-Ethyl-4-methylpentan-1-ol?
The CAS number of 3-Ethyl-4-methylpentan-1-ol is 100431-87-6.
What is the molecular formula of 3-Ethyl-4-methylpentan-1-ol?
The molecular formula of 3-Ethyl-4-methylpentan-1-ol is C8H18O.
What is the molecular weight of 3-Ethyl-4-methylpentan-1-ol?
The molecular weight of 3-Ethyl-4-methylpentan-1-ol is 130.13577 g/mol.
Where can I buy 3-Ethyl-4-methylpentan-1-ol?
You can request a quote for 3-Ethyl-4-methylpentan-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-4-methylpentan-1-ol?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-4-methylpentan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.