Trimethylhexane-1,6-diol
TL;DR: Trimethylhexane-1,6-diol (CAS 27476-48-8) is a chemical compound with molecular formula C9H20O2 and molecular weight 160.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethylheptane-1,6-diol
Also Known As: Trimethylhexane-1,6-diol, EINECS 248-481-8, 5,6-dimethylheptane-1,6-diol, 1,6-Hexanediol,trimethyl-, 248-481-8
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 1.556 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 94.22608 |
Chemical Identifiers
| CAS Number | 27476-48-8 |
|---|---|
| SMILES | CC(CCCCO)C(C)(C)O |
Product Overview
Trimethylhexane-1,6-diol (CAS 27476-48-8), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 5,6-dimethylheptane-1,6-diol.
Chemical Property Profile of Trimethylhexane-1,6-diol
Property Insights of Trimethylhexane-1,6-diol
The XLogP value of 1.556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylhexane-1,6-diol. With a topological polar surface area (TPSA) of 40.46 Ų, Trimethylhexane-1,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylhexane-1,6-diol 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 Trimethylhexane-1,6-diol?
The CAS number of Trimethylhexane-1,6-diol is 27476-48-8.
What is the molecular formula of Trimethylhexane-1,6-diol?
The molecular formula of Trimethylhexane-1,6-diol is C9H20O2.
What is the molecular weight of Trimethylhexane-1,6-diol?
The molecular weight of Trimethylhexane-1,6-diol is 160.15 g/mol.
Where can I buy Trimethylhexane-1,6-diol?
You can request a quote for Trimethylhexane-1,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylhexane-1,6-diol?
Yes, KEHONG BIO provides custom synthesis services for Trimethylhexane-1,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.