Heptanoic acid, 6-methyl-3-oxo-, methyl ester
TL;DR: Heptanoic acid, 6-methyl-3-oxo-, methyl ester (CAS 104214-14-4) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-methyl-3-oxoheptanoate
Also Known As: methyl 6-methyl-3-oxoheptanoate, Methyl 6-methyl-3-oxo-heptanoate, methyl6-methyl-3-oxoheptanoate, Heptanoic acid, 6-methyl-3-oxo-, methyl ester, 6-methyl-3-oxo-heptanoic acid methyl ester
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | CC(C)CCC(=O)CC(=O)OC |
| InChIKey | OYOAQGPOQKYOMS-UHFFFAOYSA-N |
Chemical Property Profile of Heptanoic acid, 6-methyl-3-oxo-, methyl ester
Property Insights of Heptanoic acid, 6-methyl-3-oxo-, methyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 6-methyl-3-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Heptanoic acid, 6-methyl-3-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 6-methyl-3-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Heptanoic acid, 6-methyl-3-oxo-, methyl ester?
The CAS number of Heptanoic acid, 6-methyl-3-oxo-, methyl ester is 104214-14-4.
What is the molecular formula of Heptanoic acid, 6-methyl-3-oxo-, methyl ester?
The molecular formula of Heptanoic acid, 6-methyl-3-oxo-, methyl ester is C9H16O3.
What is the molecular weight of Heptanoic acid, 6-methyl-3-oxo-, methyl ester?
The molecular weight of Heptanoic acid, 6-methyl-3-oxo-, methyl ester is 172.10994 g/mol.
Where can I buy Heptanoic acid, 6-methyl-3-oxo-, methyl ester?
You can request a quote for Heptanoic acid, 6-methyl-3-oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptanoic acid, 6-methyl-3-oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Heptanoic acid, 6-methyl-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.