Hydroxycitronellal dimethyl acetal
TL;DR: Hydroxycitronellal dimethyl acetal (CAS 141-92-4) is a chemical compound with molecular formula C12H26O3 and molecular weight 218.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethoxy-2,6-dimethyloctan-2-ol
Also Known As: Hydroxycitronellal dimethyl acetal, 8,8-Dimethoxy-2,6-dimethyloctan-2-ol, Laurine dimethyl acetal, Hydroxycitronellal DMA, 8,8-Dimethoxy-2,6-dimethyl-2-octanol
| Molecular Formula | C12H26O3 |
|---|---|
| Molecular Weight | 218.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.1882 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
| Boiling Point | 252.00 °C. @ 760.00 mm Hg |
| Density | 0.925-0.930 |
| Solubility | insoluble in water and glycerol; slightly soluble in alcohol; soluble in oils |
| Refractive Index | 1.441-1.444 |
Chemical Identifiers
| CAS Number | 141-92-4 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC(OC)OC |
| InChIKey | QCJVKUULZGKQDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxycitronellal dimethyl acetal (CAS 141-92-4), with molecular formula C12H26O3 and molecular weight 218.19 g/mol. IUPAC: 8,8-dimethoxy-2,6-dimethyloctan-2-ol.
Chemical Property Profile of Hydroxycitronellal dimethyl acetal
Property Insights of Hydroxycitronellal dimethyl acetal
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxycitronellal dimethyl acetal. With a topological polar surface area (TPSA) of 38.7 Ų, Hydroxycitronellal dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxycitronellal dimethyl acetal has 1 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 Hydroxycitronellal dimethyl acetal?
The CAS number of Hydroxycitronellal dimethyl acetal is 141-92-4.
What is the molecular formula of Hydroxycitronellal dimethyl acetal?
The molecular formula of Hydroxycitronellal dimethyl acetal is C12H26O3.
What is the molecular weight of Hydroxycitronellal dimethyl acetal?
The molecular weight of Hydroxycitronellal dimethyl acetal is 218.19 g/mol.
Where can I buy Hydroxycitronellal dimethyl acetal?
You can request a quote for Hydroxycitronellal dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxycitronellal dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Hydroxycitronellal dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.