2,7-Dimethyloct-6-en-4-one
TL;DR: 2,7-Dimethyloct-6-en-4-one (CAS 66471-49-6) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dimethyloct-6-en-4-one
Also Known As: 2,7-Dimethyloct-6-en-4-one, EINECS 266-374-4, 2,7-Dimethyl-6-octen-4-one, 6-Octen-4-one,2,7-dimethyl-, 2,7 - dimethyloct - 6 - en - 4 - one
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9579 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 150.2557 |
Chemical Identifiers
| CAS Number | 66471-49-6 |
|---|---|
| SMILES | CC(C)CC(=O)CC=C(C)C |
Product Overview
2,7-Dimethyloct-6-en-4-one (CAS 66471-49-6), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 2,7-dimethyloct-6-en-4-one.
Chemical Property Profile of 2,7-Dimethyloct-6-en-4-one
Property Insights of 2,7-Dimethyloct-6-en-4-one
The XLogP value of 2.9579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dimethyloct-6-en-4-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2,7-Dimethyloct-6-en-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dimethyloct-6-en-4-one has 0 hydrogen bond donor(s) and 1 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 2,7-Dimethyloct-6-en-4-one?
The CAS number of 2,7-Dimethyloct-6-en-4-one is 66471-49-6.
What is the molecular formula of 2,7-Dimethyloct-6-en-4-one?
The molecular formula of 2,7-Dimethyloct-6-en-4-one is C10H18O.
What is the molecular weight of 2,7-Dimethyloct-6-en-4-one?
The molecular weight of 2,7-Dimethyloct-6-en-4-one is 154.14 g/mol.
Where can I buy 2,7-Dimethyloct-6-en-4-one?
You can request a quote for 2,7-Dimethyloct-6-en-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dimethyloct-6-en-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dimethyloct-6-en-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.