6-Methyl-5-methylideneheptan-2-one
TL;DR: 6-Methyl-5-methylideneheptan-2-one (CAS 498-51-1) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5-methylideneheptan-2-one
Also Known As: Thujaketone, 6-Methyl-5-methylene-2-heptanone, 6-Methyl-5-methylideneheptan-2-one, 5-Isopropyl-5-hexen-2-one #, 2-Heptanone, 6-methyl-5-methylene-
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 498-51-1 |
|---|---|
| SMILES | CC(C)C(=C)CCC(=O)C |
| InChIKey | RNUYQXXGCJJIPA-UHFFFAOYSA-N |
Product Overview
6-Methyl-5-methylideneheptan-2-one (CAS 498-51-1), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 6-methyl-5-methylideneheptan-2-one.
Chemical Property Profile of 6-Methyl-5-methylideneheptan-2-one
Property Insights of 6-Methyl-5-methylideneheptan-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-5-methylideneheptan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methyl-5-methylideneheptan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-5-methylideneheptan-2-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 6-Methyl-5-methylideneheptan-2-one?
The CAS number of 6-Methyl-5-methylideneheptan-2-one is 498-51-1.
What is the molecular formula of 6-Methyl-5-methylideneheptan-2-one?
The molecular formula of 6-Methyl-5-methylideneheptan-2-one is C9H16O.
What is the molecular weight of 6-Methyl-5-methylideneheptan-2-one?
The molecular weight of 6-Methyl-5-methylideneheptan-2-one is 140.12 g/mol.
Where can I buy 6-Methyl-5-methylideneheptan-2-one?
You can request a quote for 6-Methyl-5-methylideneheptan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-5-methylideneheptan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-5-methylideneheptan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.