3-Hexanol, 4-ethyl-
TL;DR: 3-Hexanol, 4-ethyl- (CAS 19780-44-0) 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.
4-ethylhexan-3-ol
Also Known As: 4-Ethyl-3-hexanol, 4-ethylhexan-3-ol, 3-Hexanol, 4-ethyl-, 3-Aethylhexanol-4, 3-ETHYL HEXANOL-3
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 19780-44-0 |
|---|---|
| SMILES | CCC(CC)C(CC)O |
| InChIKey | BOJLCKCCKQMGKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexanol, 4-ethyl- (CAS 19780-44-0), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 4-ethylhexan-3-ol.
Chemical Property Profile of 3-Hexanol, 4-ethyl-
Property Insights of 3-Hexanol, 4-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanol, 4-ethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hexanol, 4-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexanol, 4-ethyl- 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-Hexanol, 4-ethyl-?
The CAS number of 3-Hexanol, 4-ethyl- is 19780-44-0.
What is the molecular formula of 3-Hexanol, 4-ethyl-?
The molecular formula of 3-Hexanol, 4-ethyl- is C8H18O.
What is the molecular weight of 3-Hexanol, 4-ethyl-?
The molecular weight of 3-Hexanol, 4-ethyl- is 130.14 g/mol.
Where can I buy 3-Hexanol, 4-ethyl-?
You can request a quote for 3-Hexanol, 4-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanol, 4-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanol, 4-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.