1-Chloro-3,7-dimethyl-octa-2,6-diene
TL;DR: 1-Chloro-3,7-dimethyl-octa-2,6-diene (CAS 5389-87-7) is a chemical compound with molecular formula C10H17Cl and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3,7-dimethylocta-2,6-diene
Also Known As: Geranyl chloride, 2,6-Octadiene, 1-chloro-3,7-dimethyl-, 1-Chloro-3,7-dimethyl-octa-2,6-diene, 1-Chloro-3,7-dimethylocta-2,6-diene, (E)-1-Chloro-3,7-dimethylocta-2,6-diene
| Molecular Formula | C10H17Cl |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10188 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 5389-87-7 |
|---|---|
| SMILES | CC(=CCCC(=CCCl)C)C |
| InChIKey | WLAUCMCTKPXDIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3,7-dimethyl-octa-2,6-diene (CAS 5389-87-7), with molecular formula C10H17Cl and molecular weight 172.10 g/mol. IUPAC: 1-chloro-3,7-dimethylocta-2,6-diene.
Chemical Property Profile of 1-Chloro-3,7-dimethyl-octa-2,6-diene
Property Insights of 1-Chloro-3,7-dimethyl-octa-2,6-diene
The XLogP value of 4.2 indicates that 1-Chloro-3,7-dimethyl-octa-2,6-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-3,7-dimethyl-octa-2,6-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3,7-dimethyl-octa-2,6-diene has 0 hydrogen bond donor(s) and 0 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 1-Chloro-3,7-dimethyl-octa-2,6-diene?
The CAS number of 1-Chloro-3,7-dimethyl-octa-2,6-diene is 5389-87-7.
What is the molecular formula of 1-Chloro-3,7-dimethyl-octa-2,6-diene?
The molecular formula of 1-Chloro-3,7-dimethyl-octa-2,6-diene is C10H17Cl.
What is the molecular weight of 1-Chloro-3,7-dimethyl-octa-2,6-diene?
The molecular weight of 1-Chloro-3,7-dimethyl-octa-2,6-diene is 172.10 g/mol.
Where can I buy 1-Chloro-3,7-dimethyl-octa-2,6-diene?
You can request a quote for 1-Chloro-3,7-dimethyl-octa-2,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3,7-dimethyl-octa-2,6-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,7-dimethyl-octa-2,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.