2-Heptanone, 4,6-dimethyl-
TL;DR: 2-Heptanone, 4,6-dimethyl- (CAS 19549-80-5) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethylheptan-2-one
Also Known As: 4,6-Dimethylheptan-2-one, 4,6-Dimethyl-2-heptanone, 2-Heptanone, 4,6-dimethyl-, 4,6-Dimethyl-2-Heptanon, 4,6-dimethylheptanone
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 19549-80-5 |
|---|---|
| SMILES | CC(C)CC(C)CC(=O)C |
| InChIKey | YXFDTUKUWNQPFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptanone, 4,6-dimethyl- (CAS 19549-80-5), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 4,6-dimethylheptan-2-one.
Chemical Property Profile of 2-Heptanone, 4,6-dimethyl-
Property Insights of 2-Heptanone, 4,6-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptanone, 4,6-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Heptanone, 4,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptanone, 4,6-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 2-Heptanone, 4,6-dimethyl-?
The CAS number of 2-Heptanone, 4,6-dimethyl- is 19549-80-5.
What is the molecular formula of 2-Heptanone, 4,6-dimethyl-?
The molecular formula of 2-Heptanone, 4,6-dimethyl- is C9H18O.
What is the molecular weight of 2-Heptanone, 4,6-dimethyl-?
The molecular weight of 2-Heptanone, 4,6-dimethyl- is 142.14 g/mol.
Where can I buy 2-Heptanone, 4,6-dimethyl-?
You can request a quote for 2-Heptanone, 4,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptanone, 4,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptanone, 4,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.