2,6-Dimethyl-6-hepten-1-ol
TL;DR: 2,6-Dimethyl-6-hepten-1-ol (CAS 5333-31-3) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylhept-6-en-1-ol
Also Known As: Melonol, alpha-, 2,6-dimethylhept-6-en-1-ol, 2,6-dimethyl-6-hepten-1-ol, FEMA No. 3663, .ALPHA.-MELONOL
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 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 | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 96.0 |
| Boiling Point | 62.00 °C. @ 1.00 mm Hg |
| Density | 0.841-0.846 |
| Solubility | insoluble in water, soluble in fixed oils |
| Refractive Index | 1.451 |
Chemical Identifiers
| CAS Number | 5333-31-3 |
|---|---|
| SMILES | CC(CCCC(=C)C)CO |
| InChIKey | GUIBQTSZYLPXBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-6-hepten-1-ol (CAS 5333-31-3), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 2,6-dimethylhept-6-en-1-ol.
Chemical Property Profile of 2,6-Dimethyl-6-hepten-1-ol
Property Insights of 2,6-Dimethyl-6-hepten-1-ol
The XLogP value of 3.0 indicates that 2,6-Dimethyl-6-hepten-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Dimethyl-6-hepten-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-6-hepten-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
Frequently Asked Questions
What is the CAS number of 2,6-Dimethyl-6-hepten-1-ol?
The CAS number of 2,6-Dimethyl-6-hepten-1-ol is 5333-31-3.
What is the molecular formula of 2,6-Dimethyl-6-hepten-1-ol?
The molecular formula of 2,6-Dimethyl-6-hepten-1-ol is C9H18O.
What is the molecular weight of 2,6-Dimethyl-6-hepten-1-ol?
The molecular weight of 2,6-Dimethyl-6-hepten-1-ol is 142.14 g/mol.
Where can I buy 2,6-Dimethyl-6-hepten-1-ol?
You can request a quote for 2,6-Dimethyl-6-hepten-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-6-hepten-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-6-hepten-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.