4-Methyl-5-pentyl-1,3-cyclopentanedione
TL;DR: 4-Methyl-5-pentyl-1,3-cyclopentanedione (CAS 57157-05-8) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-pentylcyclopentane-1,3-dione
Also Known As: 4-Methyl-5-pentyl-1,3-cyclopentanedione, 1,3-Cyclopentanedione, 4-methyl-5-pentyl-, 4-methyl-5-pentylcyclopentane-1,3-dione, 4-n-Pentyl-5-methyl-1,3-cyclopentanedione, 4-methyl-5-pentyl-cyclopentane-1,3-dione
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 57157-05-8 |
|---|---|
| SMILES | CCCCCC1C(C(=O)CC1=O)C |
| InChIKey | AQEVMTGXMPZZFV-UHFFFAOYSA-N |
Product Overview
4-Methyl-5-pentyl-1,3-cyclopentanedione (CAS 57157-05-8), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 4-methyl-5-pentylcyclopentane-1,3-dione.
Chemical Property Profile of 4-Methyl-5-pentyl-1,3-cyclopentanedione
Property Insights of 4-Methyl-5-pentyl-1,3-cyclopentanedione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-pentyl-1,3-cyclopentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Methyl-5-pentyl-1,3-cyclopentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-pentyl-1,3-cyclopentanedione 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 4-Methyl-5-pentyl-1,3-cyclopentanedione?
The CAS number of 4-Methyl-5-pentyl-1,3-cyclopentanedione is 57157-05-8.
What is the molecular formula of 4-Methyl-5-pentyl-1,3-cyclopentanedione?
The molecular formula of 4-Methyl-5-pentyl-1,3-cyclopentanedione is C11H18O2.
What is the molecular weight of 4-Methyl-5-pentyl-1,3-cyclopentanedione?
The molecular weight of 4-Methyl-5-pentyl-1,3-cyclopentanedione is 182.13 g/mol.
Where can I buy 4-Methyl-5-pentyl-1,3-cyclopentanedione?
You can request a quote for 4-Methyl-5-pentyl-1,3-cyclopentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-pentyl-1,3-cyclopentanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-pentyl-1,3-cyclopentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.