1,6-Octadiene-3,4-diol, 3,7-dimethyl-
TL;DR: 1,6-Octadiene-3,4-diol, 3,7-dimethyl- (CAS 68042-45-5) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-diene-3,4-diol
Also Known As: Cornusol, 3,7-dimethylocta-1,6-diene-3,4-diol, 1,6-Octadiene-3,4-diol, 3,7-dimethyl-, 3,7-dimethyl-1,6-octadiene-3,4-diol, 1,6-Octadiene-3,4-diol,3,7-dimethyl-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 68042-45-5 |
|---|---|
| SMILES | CC(=CCC(C(C)(C=C)O)O)C |
| InChIKey | YDGOIHYUXBNION-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Octadiene-3,4-diol, 3,7-dimethyl- (CAS 68042-45-5), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3,7-dimethylocta-1,6-diene-3,4-diol.
Chemical Property Profile of 1,6-Octadiene-3,4-diol, 3,7-dimethyl-
Property Insights of 1,6-Octadiene-3,4-diol, 3,7-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Octadiene-3,4-diol, 3,7-dimethyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,6-Octadiene-3,4-diol, 3,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Octadiene-3,4-diol, 3,7-dimethyl- has 2 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 1,6-Octadiene-3,4-diol, 3,7-dimethyl-?
The CAS number of 1,6-Octadiene-3,4-diol, 3,7-dimethyl- is 68042-45-5.
What is the molecular formula of 1,6-Octadiene-3,4-diol, 3,7-dimethyl-?
The molecular formula of 1,6-Octadiene-3,4-diol, 3,7-dimethyl- is C10H18O2.
What is the molecular weight of 1,6-Octadiene-3,4-diol, 3,7-dimethyl-?
The molecular weight of 1,6-Octadiene-3,4-diol, 3,7-dimethyl- is 170.13 g/mol.
Where can I buy 1,6-Octadiene-3,4-diol, 3,7-dimethyl-?
You can request a quote for 1,6-Octadiene-3,4-diol, 3,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Octadiene-3,4-diol, 3,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Octadiene-3,4-diol, 3,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.