1,6-Octadiene, 3-chloro-3,7-dimethyl-
TL;DR: 1,6-Octadiene, 3-chloro-3,7-dimethyl- (CAS 471-10-3) 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.
3-chloro-3,7-dimethylocta-1,6-diene
Also Known As: Linalyl chloride, 3-Chloro-3,7-dimethylocta-1,6-diene, 3-citronellyl chloride, 1,6-Octadiene, 3-chloro-3,7-dimethyl-, 3-Chloro-3,7-dimethyl-1,6-octadiene
| Molecular Formula | C10H17Cl |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 4.0 |
| 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 | 154.0 |
Chemical Identifiers
| CAS Number | 471-10-3 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)Cl)C |
| InChIKey | PJILXNRGDWHSRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Octadiene, 3-chloro-3,7-dimethyl- (CAS 471-10-3), with molecular formula C10H17Cl and molecular weight 172.10 g/mol. IUPAC: 3-chloro-3,7-dimethylocta-1,6-diene.
Chemical Property Profile of 1,6-Octadiene, 3-chloro-3,7-dimethyl-
Property Insights of 1,6-Octadiene, 3-chloro-3,7-dimethyl-
The XLogP value of 4.0 indicates that 1,6-Octadiene, 3-chloro-3,7-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,6-Octadiene, 3-chloro-3,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Octadiene, 3-chloro-3,7-dimethyl- 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 1,6-Octadiene, 3-chloro-3,7-dimethyl-?
The CAS number of 1,6-Octadiene, 3-chloro-3,7-dimethyl- is 471-10-3.
What is the molecular formula of 1,6-Octadiene, 3-chloro-3,7-dimethyl-?
The molecular formula of 1,6-Octadiene, 3-chloro-3,7-dimethyl- is C10H17Cl.
What is the molecular weight of 1,6-Octadiene, 3-chloro-3,7-dimethyl-?
The molecular weight of 1,6-Octadiene, 3-chloro-3,7-dimethyl- is 172.10 g/mol.
Where can I buy 1,6-Octadiene, 3-chloro-3,7-dimethyl-?
You can request a quote for 1,6-Octadiene, 3-chloro-3,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Octadiene, 3-chloro-3,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Octadiene, 3-chloro-3,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.