3,7-Dimethyl-1,7-octanediol
TL;DR: 3,7-Dimethyl-1,7-octanediol (CAS 98206-63-4) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloctane-1,7-diol
Also Known As: Hydroxycitronellol, 3,7-Dimethyloctane-1,7-diol, Hydroxyciol, Citronellol, hydroxy-, 1,7-Octanediol, 3,7-dimethyl-
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 98206-63-4 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CCO |
| InChIKey | FPCCDPXRNNVUOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethyl-1,7-octanediol (CAS 98206-63-4), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 3,7-dimethyloctane-1,7-diol.
Chemical Property Profile of 3,7-Dimethyl-1,7-octanediol
Property Insights of 3,7-Dimethyl-1,7-octanediol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dimethyl-1,7-octanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,7-Dimethyl-1,7-octanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-1,7-octanediol 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 3,7-Dimethyl-1,7-octanediol?
The CAS number of 3,7-Dimethyl-1,7-octanediol is 98206-63-4.
What is the molecular formula of 3,7-Dimethyl-1,7-octanediol?
The molecular formula of 3,7-Dimethyl-1,7-octanediol is C10H22O2.
What is the molecular weight of 3,7-Dimethyl-1,7-octanediol?
The molecular weight of 3,7-Dimethyl-1,7-octanediol is 174.16 g/mol.
Where can I buy 3,7-Dimethyl-1,7-octanediol?
You can request a quote for 3,7-Dimethyl-1,7-octanediol 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-1,7-octanediol?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-1,7-octanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.