3,7-Dimethyl-7-ethoxyoctanal
TL;DR: 3,7-Dimethyl-7-ethoxyoctanal (CAS 40910-49-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-3,7-dimethyloctanal
Also Known As: Ethoxycitronellal, 7-ethoxy-3,7-dimethyloctanal, 3,7-Dimethyl-7-ethoxyoctanal, Octanal, 7-ethoxy-3,7-dimethyl-, Octanal, 3,7-dimethyl-7-ethoxy-
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 40910-49-4 |
|---|---|
| SMILES | CCOC(C)(C)CCCC(C)CC=O |
| InChIKey | JACNKCPPJDIHTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethyl-7-ethoxyoctanal (CAS 40910-49-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 7-ethoxy-3,7-dimethyloctanal.
Chemical Property Profile of 3,7-Dimethyl-7-ethoxyoctanal
Property Insights of 3,7-Dimethyl-7-ethoxyoctanal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-7-ethoxyoctanal. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyl-7-ethoxyoctanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-7-ethoxyoctanal has 0 hydrogen bond donor(s) and 2 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-Dimethyl-7-ethoxyoctanal?
The CAS number of 3,7-Dimethyl-7-ethoxyoctanal is 40910-49-4.
What is the molecular formula of 3,7-Dimethyl-7-ethoxyoctanal?
The molecular formula of 3,7-Dimethyl-7-ethoxyoctanal is C12H24O2.
What is the molecular weight of 3,7-Dimethyl-7-ethoxyoctanal?
The molecular weight of 3,7-Dimethyl-7-ethoxyoctanal is 200.18 g/mol.
Where can I buy 3,7-Dimethyl-7-ethoxyoctanal?
You can request a quote for 3,7-Dimethyl-7-ethoxyoctanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-7-ethoxyoctanal?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-7-ethoxyoctanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.