5-Hydroxy-4,6-dimethyl-6-hepten-3-one
TL;DR: 5-Hydroxy-4,6-dimethyl-6-hepten-3-one (CAS 62338-59-4) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,6-dimethylhept-6-en-3-one
Also Known As: 5-Hydroxy-4,6-dimethyl-6-hepten-3-one, 5-hydroxy-4,6-dimethylhept-6-en-3-one, 6-Hepten-3-one, 5-hydroxy-4,6-dimethyl-, 5-Hydroxy-4,6-dimethyl-6-hepten-3-one #, (4S,5S)-5-hydroxy-4,6-dimethyl-6-hepten-3-one
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 62338-59-4 |
|---|---|
| SMILES | CCC(=O)C(C)C(C(=C)C)O |
| InChIKey | GVYRYRHACRAUBG-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-4,6-dimethyl-6-hepten-3-one (CAS 62338-59-4), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 5-hydroxy-4,6-dimethylhept-6-en-3-one.
Chemical Property Profile of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one
Property Insights of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4,6-dimethyl-6-hepten-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Hydroxy-4,6-dimethyl-6-hepten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-4,6-dimethyl-6-hepten-3-one has 1 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 5-Hydroxy-4,6-dimethyl-6-hepten-3-one?
The CAS number of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one is 62338-59-4.
What is the molecular formula of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one?
The molecular formula of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one is C9H16O2.
What is the molecular weight of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one?
The molecular weight of 5-Hydroxy-4,6-dimethyl-6-hepten-3-one is 156.12 g/mol.
Where can I buy 5-Hydroxy-4,6-dimethyl-6-hepten-3-one?
You can request a quote for 5-Hydroxy-4,6-dimethyl-6-hepten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4,6-dimethyl-6-hepten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4,6-dimethyl-6-hepten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.