7,7-Dimethoxyheptanal
TL;DR: 7,7-Dimethoxyheptanal (CAS 60090-77-9) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethoxyheptanal
Also Known As: 7,7-Dimethoxyheptanal, 7,7-dimethoxy-heptanal, 7-dimethoxy heptanal, Heptanal, 7,7-dimethoxy-, 7,7-Dimethoxyheptanal #
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 60090-77-9 |
|---|---|
| SMILES | COC(CCCCCC=O)OC |
| InChIKey | ZSCWUFCWRFKZGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7,7-Dimethoxyheptanal (CAS 60090-77-9), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 7,7-dimethoxyheptanal.
Chemical Property Profile of 7,7-Dimethoxyheptanal
Property Insights of 7,7-Dimethoxyheptanal
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-Dimethoxyheptanal. With a topological polar surface area (TPSA) of 35.5 Ų, 7,7-Dimethoxyheptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Dimethoxyheptanal has 0 hydrogen bond donor(s) and 3 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 7,7-Dimethoxyheptanal?
The CAS number of 7,7-Dimethoxyheptanal is 60090-77-9.
What is the molecular formula of 7,7-Dimethoxyheptanal?
The molecular formula of 7,7-Dimethoxyheptanal is C9H18O3.
What is the molecular weight of 7,7-Dimethoxyheptanal?
The molecular weight of 7,7-Dimethoxyheptanal is 174.13 g/mol.
Where can I buy 7,7-Dimethoxyheptanal?
You can request a quote for 7,7-Dimethoxyheptanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Dimethoxyheptanal?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Dimethoxyheptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.