Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone
TL;DR: Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone (CAS 28371-99-5) is a chemical compound with molecular formula C17H26O and molecular weight 246.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl)ethanone
Also Known As: amber decatriene, Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone, Ethanone, 1-(2,6,10-trimethyl-2,5,9-cyclododecatrien-1-yl)-, methyl 2,6,10-trimethyl cyclododeca-2,5,9-trienyl ketone, 1-(2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl)ethanone
| Molecular Formula | C17H26O |
|---|---|
| Molecular Weight | 246.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.19836 |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 28371-99-5 |
|---|---|
| SMILES | CC1=CCCC(=CCC=C(C(CC1)C(=O)C)C)C |
| InChIKey | QWAUHUKNKGMBBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone (CAS 28371-99-5), with molecular formula C17H26O and molecular weight 246.20 g/mol. IUPAC: 1-(2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl)ethanone.
Chemical Property Profile of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone
Property Insights of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone
The XLogP value of 3.3 indicates that Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone has 0 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 Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone?
The CAS number of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone is 28371-99-5.
What is the molecular formula of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone?
The molecular formula of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone is C17H26O.
What is the molecular weight of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone?
The molecular weight of Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone is 246.20 g/mol.
Where can I buy Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone?
You can request a quote for Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.