2,6-Decadienal, 3,7,9-trimethyl-
TL;DR: 2,6-Decadienal, 3,7,9-trimethyl- (CAS 58605-97-3) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,9-trimethyldeca-2,6-dienal
Also Known As: Isobutylcitral, 2,6-Decadienal, 3,7,9-trimethyl-, 3,7,9-trimethyl-2,6-decadien-1-al, (2E,6E)-3,7,9-trimethyldeca-2,6-dienal, RefChem:445253
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 58605-97-3 |
|---|---|
| SMILES | CC(C)CC(=CCCC(=CC=O)C)C |
| InChIKey | INLBYQNSKXMVTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Decadienal, 3,7,9-trimethyl- (CAS 58605-97-3), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 3,7,9-trimethyldeca-2,6-dienal.
Chemical Property Profile of 2,6-Decadienal, 3,7,9-trimethyl-
Property Insights of 2,6-Decadienal, 3,7,9-trimethyl-
The XLogP value of 4.3 indicates that 2,6-Decadienal, 3,7,9-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Decadienal, 3,7,9-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Decadienal, 3,7,9-trimethyl- 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 2,6-Decadienal, 3,7,9-trimethyl-?
The CAS number of 2,6-Decadienal, 3,7,9-trimethyl- is 58605-97-3.
What is the molecular formula of 2,6-Decadienal, 3,7,9-trimethyl-?
The molecular formula of 2,6-Decadienal, 3,7,9-trimethyl- is C13H22O.
What is the molecular weight of 2,6-Decadienal, 3,7,9-trimethyl-?
The molecular weight of 2,6-Decadienal, 3,7,9-trimethyl- is 194.17 g/mol.
Where can I buy 2,6-Decadienal, 3,7,9-trimethyl-?
You can request a quote for 2,6-Decadienal, 3,7,9-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Decadienal, 3,7,9-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Decadienal, 3,7,9-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.