2-Ethyl-2-prenyl-3-hexenol
TL;DR: 2-Ethyl-2-prenyl-3-hexenol (CAS 85136-06-7) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol
Also Known As: 2-Ethyl-2-prenyl-3-hexenol, 6-Octen-3-ol,4-ethenyl-4,7-dimethyl, 2-Ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol, 3-Hexen-1-ol, 2-ethyl-2-(3-methyl-2-buten-1-yl)-, 3-Hexen-1-ol, 2-ethyl-2-(3-methyl-2-butenyl)-
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 85136-06-7 |
|---|---|
| SMILES | CCC=CC(CC)(CC=C(C)C)CO |
| InChIKey | FVVHZRFAPSXWTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-2-prenyl-3-hexenol (CAS 85136-06-7), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol.
Chemical Property Profile of 2-Ethyl-2-prenyl-3-hexenol
Property Insights of 2-Ethyl-2-prenyl-3-hexenol
The XLogP value of 4.0 indicates that 2-Ethyl-2-prenyl-3-hexenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Ethyl-2-prenyl-3-hexenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-prenyl-3-hexenol 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-Ethyl-2-prenyl-3-hexenol?
The CAS number of 2-Ethyl-2-prenyl-3-hexenol is 85136-06-7.
What is the molecular formula of 2-Ethyl-2-prenyl-3-hexenol?
The molecular formula of 2-Ethyl-2-prenyl-3-hexenol is C13H24O.
What is the molecular weight of 2-Ethyl-2-prenyl-3-hexenol?
The molecular weight of 2-Ethyl-2-prenyl-3-hexenol is 196.18 g/mol.
Where can I buy 2-Ethyl-2-prenyl-3-hexenol?
You can request a quote for 2-Ethyl-2-prenyl-3-hexenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-prenyl-3-hexenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-prenyl-3-hexenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.