3,4-Hexanediol, 3,4-diethyl-
TL;DR: 3,4-Hexanediol, 3,4-diethyl- (CAS 6931-71-1) 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.
3,4-diethylhexane-3,4-diol
Also Known As: 3,4-diethylhexane-3,4-diol, Aethylpinakon, Propiopinacol, 3,4-Diethyl-3,4-hexanediol, Propiopinakon
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 6931-71-1 |
|---|---|
| SMILES | CCC(CC)(C(CC)(CC)O)O |
| InChIKey | HDXDBVSPBNTNNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Hexanediol, 3,4-diethyl- (CAS 6931-71-1), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 3,4-diethylhexane-3,4-diol.
Chemical Property Profile of 3,4-Hexanediol, 3,4-diethyl-
Property Insights of 3,4-Hexanediol, 3,4-diethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Hexanediol, 3,4-diethyl-. With a topological polar surface area (TPSA) of 40.5 Ų, 3,4-Hexanediol, 3,4-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Hexanediol, 3,4-diethyl- 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 3,4-Hexanediol, 3,4-diethyl-?
The CAS number of 3,4-Hexanediol, 3,4-diethyl- is 6931-71-1.
What is the molecular formula of 3,4-Hexanediol, 3,4-diethyl-?
The molecular formula of 3,4-Hexanediol, 3,4-diethyl- is C10H22O2.
What is the molecular weight of 3,4-Hexanediol, 3,4-diethyl-?
The molecular weight of 3,4-Hexanediol, 3,4-diethyl- is 174.16 g/mol.
Where can I buy 3,4-Hexanediol, 3,4-diethyl-?
You can request a quote for 3,4-Hexanediol, 3,4-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Hexanediol, 3,4-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Hexanediol, 3,4-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.