(+-)-2,6-Dimethyl-5-heptenal
TL;DR: (+-)-2,6-Dimethyl-5-heptenal (CAS 106-72-9) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylhept-5-enal
Also Known As: 2,6-Dimethyl-5-heptenal, 2,6-Dimethylhept-5-enal, Melonal, Bergamal, dimethylheptenal
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| Density | 0.845-0.854 |
| Solubility | soluble in ethanol; insoluble in glycerol and water |
| Vapor Pressure | 0.76 [mmHg] |
| Refractive Index | 1.442-1.448 |
Chemical Identifiers
| CAS Number | 106-72-9 |
|---|---|
| SMILES | CC(CCC=C(C)C)C=O |
| InChIKey | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(+-)-2,6-Dimethyl-5-heptenal (CAS 106-72-9), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 2,6-dimethylhept-5-enal.
Chemical Property Profile of (+-)-2,6-Dimethyl-5-heptenal
Property Insights of (+-)-2,6-Dimethyl-5-heptenal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-2,6-Dimethyl-5-heptenal. With a topological polar surface area (TPSA) of 17.1 Ų, (+-)-2,6-Dimethyl-5-heptenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-2,6-Dimethyl-5-heptenal 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-Dimethyl-5-heptenal?
The CAS number of (+-)-2,6-Dimethyl-5-heptenal is 106-72-9.
What is the molecular formula of (+-)-2,6-Dimethyl-5-heptenal?
The molecular formula of (+-)-2,6-Dimethyl-5-heptenal is C9H16O.
What is the molecular weight of (+-)-2,6-Dimethyl-5-heptenal?
The molecular weight of (+-)-2,6-Dimethyl-5-heptenal is 140.12 g/mol.
Where can I buy (+-)-2,6-Dimethyl-5-heptenal?
You can request a quote for (+-)-2,6-Dimethyl-5-heptenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-2,6-Dimethyl-5-heptenal?
Yes, KEHONG BIO provides custom synthesis services for (+-)-2,6-Dimethyl-5-heptenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.