6-Methyl-2-heptanone
TL;DR: 6-Methyl-2-heptanone (CAS 928-68-7) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptan-2-one
Also Known As: 6-Methylheptan-2-one, 6-METHYL-2-HEPTANONE, 2-Heptanone, 6-methyl-, 2-Isooctanone, 2-Methyl-6-heptanone
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Boiling Point | 167 °C @760 [mm Hg] |
| Density | 0.8151 @ 20°C |
Chemical Identifiers
| CAS Number | 928-68-7 |
|---|---|
| SMILES | CC(C)CCCC(=O)C |
| InChIKey | DPLGXGDPPMLJHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-2-heptanone (CAS 928-68-7), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 6-methylheptan-2-one.
Chemical Property Profile of 6-Methyl-2-heptanone
Property Insights of 6-Methyl-2-heptanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-heptanone. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methyl-2-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-heptanone 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-Methyl-2-heptanone?
The CAS number of 6-Methyl-2-heptanone is 928-68-7.
What is the molecular formula of 6-Methyl-2-heptanone?
The molecular formula of 6-Methyl-2-heptanone is C8H16O.
What is the molecular weight of 6-Methyl-2-heptanone?
The molecular weight of 6-Methyl-2-heptanone is 128.12 g/mol.
Where can I buy 6-Methyl-2-heptanone?
You can request a quote for 6-Methyl-2-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-2-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.