3,3-Dimethylbutane-1,2-diol
TL;DR: 3,3-Dimethylbutane-1,2-diol (CAS 59562-82-2) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbutane-1,2-diol
Also Known As: 3,3-Dimethyl-1,2-butanediol, 3,3-Dimethylbutane-1,2-diol, 1,2-Butanediol, 3,3-dimethyl-, 1-tert-Butyl-1,2-ethanediol, 2,2-dimethyl-3,4-butanediol
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 59562-82-2 |
|---|---|
| SMILES | CC(C)(C)C(CO)O |
| InChIKey | YVHAOWGRHCPODY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethylbutane-1,2-diol (CAS 59562-82-2), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 3,3-dimethylbutane-1,2-diol.
Chemical Property Profile of 3,3-Dimethylbutane-1,2-diol
Property Insights of 3,3-Dimethylbutane-1,2-diol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylbutane-1,2-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,3-Dimethylbutane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylbutane-1,2-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 3,3-Dimethylbutane-1,2-diol?
The CAS number of 3,3-Dimethylbutane-1,2-diol is 59562-82-2.
What is the molecular formula of 3,3-Dimethylbutane-1,2-diol?
The molecular formula of 3,3-Dimethylbutane-1,2-diol is C6H14O2.
What is the molecular weight of 3,3-Dimethylbutane-1,2-diol?
The molecular weight of 3,3-Dimethylbutane-1,2-diol is 118.10 g/mol.
Where can I buy 3,3-Dimethylbutane-1,2-diol?
You can request a quote for 3,3-Dimethylbutane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylbutane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylbutane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.