2,5-二甲基-2,5-己二醇
TL;DR: 2,5-二甲基-2,5-己二醇 (CAS 110-03-2) 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.
2,5-二甲基-2,5-己二醇
2,5-dimethylhexane-2,5-diol
Also Known As: 2,5-DIMETHYL-2,5-HEXANEDIOL, 2,5-Dimethylhexane-2,5-diol, Dimethylhexanediol, 2,5-Hexanediol, 2,5-dimethyl-, 2, 2,5-dimethyl-
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | 92 °C |
| Boiling Point | 118 °C @ 15 MM HG |
| Density | 0.898 G/ML @ 20 °C |
| Solubility | SOL IN WATER; VERY SOL IN ALCOHOL, HOT BENZENE, CHLOROFORM |
Chemical Identifiers
| CAS Number | 110-03-2 |
|---|---|
| SMILES | CC(C)(CCC(C)(C)O)O |
| InChIKey | ZWNMRZQYWRLGMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二甲基-2,5-己二醇 (CAS 110-03-2), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2,5-dimethylhexane-2,5-diol.
Chemical Property Profile of 2,5-二甲基-2,5-己二醇
Property Insights of 2,5-二甲基-2,5-己二醇
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二甲基-2,5-己二醇. With a topological polar surface area (TPSA) of 40.5 Ų, 2,5-二甲基-2,5-己二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-二甲基-2,5-己二醇 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 2,5-二甲基-2,5-己二醇?
The CAS number of 2,5-二甲基-2,5-己二醇 is 110-03-2.
What is the molecular formula of 2,5-二甲基-2,5-己二醇?
The molecular formula of 2,5-二甲基-2,5-己二醇 is C8H18O2.
What is the molecular weight of 2,5-二甲基-2,5-己二醇?
The molecular weight of 2,5-二甲基-2,5-己二醇 is 146.13 g/mol.
Where can I buy 2,5-二甲基-2,5-己二醇?
You can request a quote for 2,5-二甲基-2,5-己二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二甲基-2,5-己二醇?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二甲基-2,5-己二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.