3,7-Dimethylnona-2,6-dienal
TL;DR: 3,7-Dimethylnona-2,6-dienal (CAS 41448-29-7) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylnona-2,6-dienal
Also Known As: Methylcitral, Ethyl citral, 3,7-Dimethylnona-2,6-dienal, 2,6-Nonadienal, 3,7-dimethyl-, (2E,6E)-3,7-dimethylnona-2,6-dienal
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 41448-29-7 |
|---|---|
| SMILES | CCC(=CCCC(=CC=O)C)C |
| InChIKey | BCEQJZNLIKMDEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylnona-2,6-dienal (CAS 41448-29-7), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 3,7-dimethylnona-2,6-dienal.
Chemical Property Profile of 3,7-Dimethylnona-2,6-dienal
Property Insights of 3,7-Dimethylnona-2,6-dienal
The XLogP value of 3.5 indicates that 3,7-Dimethylnona-2,6-dienal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,7-Dimethylnona-2,6-dienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylnona-2,6-dienal 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 3,7-Dimethylnona-2,6-dienal?
The CAS number of 3,7-Dimethylnona-2,6-dienal is 41448-29-7.
What is the molecular formula of 3,7-Dimethylnona-2,6-dienal?
The molecular formula of 3,7-Dimethylnona-2,6-dienal is C11H18O.
What is the molecular weight of 3,7-Dimethylnona-2,6-dienal?
The molecular weight of 3,7-Dimethylnona-2,6-dienal is 166.14 g/mol.
Where can I buy 3,7-Dimethylnona-2,6-dienal?
You can request a quote for 3,7-Dimethylnona-2,6-dienal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylnona-2,6-dienal?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylnona-2,6-dienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.