3-Isopentyl-2,4-pentanedione
TL;DR: 3-Isopentyl-2,4-pentanedione (CAS 10237-48-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-methylbutyl)pentane-2,4-dione
Also Known As: 3-(3-methylbutyl)pentane-2,4-dione, 3-Isopentyl-2,4-pentanedione, Diacetyl-isoamyl-methan, 3-Isopentylpentane-2,4-dione, 3-Isopentyl-2,4-pentadione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
| SMILES | CC(C)CCC(C(=O)C)C(=O)C |
| InChIKey | VHWDQUBHJZEUNV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isopentyl-2,4-pentanedione
Property Insights of 3-Isopentyl-2,4-pentanedione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopentyl-2,4-pentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Isopentyl-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopentyl-2,4-pentanedione 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
What is the CAS number of 3-Isopentyl-2,4-pentanedione?
The CAS number of 3-Isopentyl-2,4-pentanedione is 10237-48-6.
What is the molecular formula of 3-Isopentyl-2,4-pentanedione?
The molecular formula of 3-Isopentyl-2,4-pentanedione is C10H18O2.
What is the molecular weight of 3-Isopentyl-2,4-pentanedione?
The molecular weight of 3-Isopentyl-2,4-pentanedione is 170.13068 g/mol.
Where can I buy 3-Isopentyl-2,4-pentanedione?
You can request a quote for 3-Isopentyl-2,4-pentanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isopentyl-2,4-pentanedione?
Yes, CoreyChem provides custom synthesis services for 3-Isopentyl-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.