4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-
TL;DR: 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- (CAS 3682-91-5) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dihydroxy-2,6-dimethylheptan-4-one
Also Known As: Triacetone alcohol, 2,6-Dihydroxy-2,6-dimethylheptan-4-one, 2,6-Dihydroxy-2,6-dimethyl-4-heptanone, TRIACETONEDIOL, 2,6-Dihydroxy-2,6-dimethyl-heptan-4-one
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3682-91-5 |
|---|---|
| SMILES | CC(C)(CC(=O)CC(C)(C)O)O |
| InChIKey | GSKOWRJEBKQTKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- (CAS 3682-91-5), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2,6-dihydroxy-2,6-dimethylheptan-4-one.
Chemical Property Profile of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-
Property Insights of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-
The XLogP value of -0.3 indicates that 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- has 2 hydrogen bond donor(s) and 3 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 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-?
The CAS number of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- is 3682-91-5.
What is the molecular formula of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-?
The molecular formula of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- is C9H18O3.
What is the molecular weight of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-?
The molecular weight of 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- is 174.13 g/mol.
Where can I buy 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-?
You can request a quote for 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.