6-Octen-3-one, 4,7-dimethyl-
TL;DR: 6-Octen-3-one, 4,7-dimethyl- (CAS 2550-11-0) 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.
4,7-dimethyloct-6-en-3-one
Also Known As: 4,7-Dimethyloct-6-en-3-one, dimethyloctenone, 2,5-Dimethyl-2-octen-6-one, 4,7-Dimethyl-6-octen-3-one, grapefruit octenone
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 2550-11-0 |
|---|---|
| SMILES | CCC(=O)C(C)CC=C(C)C |
| InChIKey | WKQWDIFHKYWRTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Octen-3-one, 4,7-dimethyl- (CAS 2550-11-0), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 4,7-dimethyloct-6-en-3-one.
Chemical Property Profile of 6-Octen-3-one, 4,7-dimethyl-
Property Insights of 6-Octen-3-one, 4,7-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Octen-3-one, 4,7-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Octen-3-one, 4,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Octen-3-one, 4,7-dimethyl- 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 6-Octen-3-one, 4,7-dimethyl-?
The CAS number of 6-Octen-3-one, 4,7-dimethyl- is 2550-11-0.
What is the molecular formula of 6-Octen-3-one, 4,7-dimethyl-?
The molecular formula of 6-Octen-3-one, 4,7-dimethyl- is C10H18O.
What is the molecular weight of 6-Octen-3-one, 4,7-dimethyl-?
The molecular weight of 6-Octen-3-one, 4,7-dimethyl- is 154.14 g/mol.
Where can I buy 6-Octen-3-one, 4,7-dimethyl-?
You can request a quote for 6-Octen-3-one, 4,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Octen-3-one, 4,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Octen-3-one, 4,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.