1,5,9-Cyclododecatriene
TL;DR: 1,5,9-Cyclododecatriene (CAS 4904-61-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclododeca-1,5,9-triene
Also Known As: cyclododeca-1,5,9-triene, 1,5,9-CYCLODODECATRIENE, No tiene, CDDT, c-CDDT
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| Melting Point | -18.0 °C |
| Boiling Point | 231.0 °C at 760 mmHg |
| Density | 0.8925 - Less dense than water; will float |
| Flash Point | 71.1 °C |
| Vapor Pressure | 0.08 [mmHg] |
| Refractive Index | 1.508 at 20 °C |
Chemical Identifiers
| CAS Number | 4904-61-4 |
|---|---|
| SMILES | C1CC=CCCC=CCCC=C1 |
| InChIKey | ZOLLIQAKMYWTBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5,9-Cyclododecatriene (CAS 4904-61-4), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: cyclododeca-1,5,9-triene.
Chemical Property Profile of 1,5,9-Cyclododecatriene
Property Insights of 1,5,9-Cyclododecatriene
The XLogP value of 4.5 indicates that 1,5,9-Cyclododecatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5,9-Cyclododecatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,9-Cyclododecatriene 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 1,5,9-Cyclododecatriene?
The CAS number of 1,5,9-Cyclododecatriene is 4904-61-4.
What is the molecular formula of 1,5,9-Cyclododecatriene?
The molecular formula of 1,5,9-Cyclododecatriene is C12H18.
What is the molecular weight of 1,5,9-Cyclododecatriene?
The molecular weight of 1,5,9-Cyclododecatriene is 162.14 g/mol.
Where can I buy 1,5,9-Cyclododecatriene?
You can request a quote for 1,5,9-Cyclododecatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,9-Cyclododecatriene?
Yes, KEHONG BIO provides custom synthesis services for 1,5,9-Cyclododecatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.