5-(Isopropyl)cyclohexane-1,3-dione
TL;DR: 5-(Isopropyl)cyclohexane-1,3-dione (CAS 1854-45-1) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-ylcyclohexane-1,3-dione
Also Known As: 5-isopropylcyclohexane-1,3-dione, 5-Isopropyl-1,3-cyclohexanedione, 5-propan-2-ylcyclohexane-1,3-dione, 5-(isopropyl)cyclohexane-1,3-dione, 5-isopropyl-cyclohexane-1,3-dione
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 1854-45-1 |
|---|---|
| SMILES | CC(C)C1CC(=O)CC(=O)C1 |
| InChIKey | DUKZQEYDAFUJMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Isopropyl)cyclohexane-1,3-dione (CAS 1854-45-1), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 5-propan-2-ylcyclohexane-1,3-dione.
Chemical Property Profile of 5-(Isopropyl)cyclohexane-1,3-dione
Property Insights of 5-(Isopropyl)cyclohexane-1,3-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Isopropyl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-(Isopropyl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Isopropyl)cyclohexane-1,3-dione 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 5-(Isopropyl)cyclohexane-1,3-dione?
The CAS number of 5-(Isopropyl)cyclohexane-1,3-dione is 1854-45-1.
What is the molecular formula of 5-(Isopropyl)cyclohexane-1,3-dione?
The molecular formula of 5-(Isopropyl)cyclohexane-1,3-dione is C9H14O2.
What is the molecular weight of 5-(Isopropyl)cyclohexane-1,3-dione?
The molecular weight of 5-(Isopropyl)cyclohexane-1,3-dione is 154.10 g/mol.
Where can I buy 5-(Isopropyl)cyclohexane-1,3-dione?
You can request a quote for 5-(Isopropyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Isopropyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Isopropyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.