trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene
TL;DR: trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene (CAS 116-04-1) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
Also Known As: beta-Humulene, .beta.-Humulene, 1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene, (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene, trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 116-04-1 |
|---|---|
| SMILES | CC1=CCC(C=CCC(=C)CCC1)(C)C |
| InChIKey | HAVYZKHVTLAPDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene (CAS 116-04-1), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: 1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene.
Chemical Property Profile of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene
Property Insights of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene
The XLogP value of 4.8 indicates that trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene 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 trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene?
The CAS number of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene is 116-04-1.
What is the molecular formula of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene?
The molecular formula of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene is C15H24.
What is the molecular weight of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene?
The molecular weight of trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene is 204.19 g/mol.
Where can I buy trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene?
You can request a quote for trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene?
Yes, KEHONG BIO provides custom synthesis services for trans,trans-8-Methylene-1,4,4-trimethyl-1,5-cycloundecadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.