2-Hydroxy-2-methylhept-6-en-3-one
TL;DR: 2-Hydroxy-2-methylhept-6-en-3-one (CAS 996-61-2) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methylhept-6-en-3-one
Also Known As: 2-Hydroxy-2-methylhept-6-en-3-one, 2-Hydroxy-2-methyl-6-hepten-3-one, 2-Hydroxy-2-methyl-6-hepten-3-one #, 6-Hepten-3-one, 2-hydroxy-2-methyl-, RefChem:261620
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 996-61-2 |
|---|---|
| SMILES | CC(C)(C(=O)CCC=C)O |
| InChIKey | VYTREIXGHYAEES-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-2-methylhept-6-en-3-one (CAS 996-61-2), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-hydroxy-2-methylhept-6-en-3-one.
Chemical Property Profile of 2-Hydroxy-2-methylhept-6-en-3-one
Property Insights of 2-Hydroxy-2-methylhept-6-en-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-methylhept-6-en-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Hydroxy-2-methylhept-6-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-methylhept-6-en-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 2-Hydroxy-2-methylhept-6-en-3-one?
The CAS number of 2-Hydroxy-2-methylhept-6-en-3-one is 996-61-2.
What is the molecular formula of 2-Hydroxy-2-methylhept-6-en-3-one?
The molecular formula of 2-Hydroxy-2-methylhept-6-en-3-one is C8H14O2.
What is the molecular weight of 2-Hydroxy-2-methylhept-6-en-3-one?
The molecular weight of 2-Hydroxy-2-methylhept-6-en-3-one is 142.10 g/mol.
Where can I buy 2-Hydroxy-2-methylhept-6-en-3-one?
You can request a quote for 2-Hydroxy-2-methylhept-6-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-methylhept-6-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-methylhept-6-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.