3,7-Dimethyloctanal
TL;DR: 3,7-Dimethyloctanal (CAS 5988-91-0) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctanal
Also Known As: 3,7-Dimethyloctanal, Dihydrocitronellal, Tetrahydrogeranial, tetrahydrocitral, Octanal, 3,7-dimethyl-
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
| Boiling Point | 197.00 to 198.00 °C. @ 760.00 mm Hg |
| Density | 1.085-1.095 |
| Solubility | 13 mg/L @ 20 °C (exp) |
| Refractive Index | 1.451-1.457 (25°) |
Chemical Identifiers
| CAS Number | 5988-91-0 |
|---|---|
| SMILES | CC(C)CCCC(C)CC=O |
| InChIKey | UCSIFMPORANABL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethyloctanal (CAS 5988-91-0), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: 3,7-dimethyloctanal.
Chemical Property Profile of 3,7-Dimethyloctanal
Property Insights of 3,7-Dimethyloctanal
The XLogP value of 3.4 indicates that 3,7-Dimethyloctanal 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-Dimethyloctanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloctanal 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-Dimethyloctanal?
The CAS number of 3,7-Dimethyloctanal is 5988-91-0.
What is the molecular formula of 3,7-Dimethyloctanal?
The molecular formula of 3,7-Dimethyloctanal is C10H20O.
What is the molecular weight of 3,7-Dimethyloctanal?
The molecular weight of 3,7-Dimethyloctanal is 156.15 g/mol.
Where can I buy 3,7-Dimethyloctanal?
You can request a quote for 3,7-Dimethyloctanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyloctanal?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyloctanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.