2,2-Dimethyl-1,3-hexanediol
TL;DR: 2,2-Dimethyl-1,3-hexanediol (CAS 22006-96-8) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylhexane-1,3-diol
Also Known As: 2,2-Dimethylhexane-1,3-diol, 1,3-Hexanediol,2,2-dimethyl-, 2,2-dimethyl-1,3-hexanediol, 2,2-dimethyl-1,3hexanediol, 2,2dimethyl-1,3-hexanediol
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 22006-96-8 |
|---|---|
| SMILES | CCCC(C(C)(C)CO)O |
| InChIKey | BGQUJDPWPVVEGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-1,3-hexanediol (CAS 22006-96-8), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2,2-dimethylhexane-1,3-diol.
Chemical Property Profile of 2,2-Dimethyl-1,3-hexanediol
Property Insights of 2,2-Dimethyl-1,3-hexanediol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-hexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2-Dimethyl-1,3-hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-hexanediol 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 2,2-Dimethyl-1,3-hexanediol?
The CAS number of 2,2-Dimethyl-1,3-hexanediol is 22006-96-8.
What is the molecular formula of 2,2-Dimethyl-1,3-hexanediol?
The molecular formula of 2,2-Dimethyl-1,3-hexanediol is C8H18O2.
What is the molecular weight of 2,2-Dimethyl-1,3-hexanediol?
The molecular weight of 2,2-Dimethyl-1,3-hexanediol is 146.13 g/mol.
Where can I buy 2,2-Dimethyl-1,3-hexanediol?
You can request a quote for 2,2-Dimethyl-1,3-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.