7-Methyloctan-4-yl acetate
TL;DR: 7-Methyloctan-4-yl acetate (CAS 33933-81-2) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyloctan-4-yl acetate
Also Known As: 7-methyloctan-4-yl acetate, 7-Methyl-4-octyl acetate, 4-Octanol, 7-methyl-, acetate, 4-Methyl-1-propylpentyl acetate #, Acetic acid 4-methyl-1-propylpentyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 33933-81-2 |
|---|---|
| SMILES | CCCC(CCC(C)C)OC(=O)C |
| InChIKey | RCGDVGLQQHGPAU-UHFFFAOYSA-N |
Product Overview
7-Methyloctan-4-yl acetate (CAS 33933-81-2), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 7-methyloctan-4-yl acetate.
Chemical Property Profile of 7-Methyloctan-4-yl acetate
Property Insights of 7-Methyloctan-4-yl acetate
The XLogP value of 3.5 indicates that 7-Methyloctan-4-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 7-Methyloctan-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyloctan-4-yl acetate has 0 hydrogen bond donor(s) and 2 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 7-Methyloctan-4-yl acetate?
The CAS number of 7-Methyloctan-4-yl acetate is 33933-81-2.
What is the molecular formula of 7-Methyloctan-4-yl acetate?
The molecular formula of 7-Methyloctan-4-yl acetate is C11H22O2.
What is the molecular weight of 7-Methyloctan-4-yl acetate?
The molecular weight of 7-Methyloctan-4-yl acetate is 186.16 g/mol.
Where can I buy 7-Methyloctan-4-yl acetate?
You can request a quote for 7-Methyloctan-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyloctan-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyloctan-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.