4-Isopropyl-1,3-cyclohexanedione
TL;DR: 4-Isopropyl-1,3-cyclohexanedione (CAS 62831-62-3) 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.
4-propan-2-ylcyclohexane-1,3-dione
Also Known As: 4-Isopropyl-1,3-cyclohexanedione, 4-isopropyl-1,3-cyclohexadione, 4-isopropylcyclohexane-1,3-dione, 4-propan-2-ylcyclohexane-1,3-dione, 4-(propan-2-yl)cyclohexane-1,3-dione
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.3 |
| 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 | 182.0 |
Chemical Identifiers
| CAS Number | 62831-62-3 |
|---|---|
| SMILES | CC(C)C1CCC(=O)CC1=O |
| InChIKey | IBNLVXNNYIGLLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropyl-1,3-cyclohexanedione (CAS 62831-62-3), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 4-propan-2-ylcyclohexane-1,3-dione.
Chemical Property Profile of 4-Isopropyl-1,3-cyclohexanedione
Property Insights of 4-Isopropyl-1,3-cyclohexanedione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-1,3-cyclohexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Isopropyl-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-1,3-cyclohexanedione 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-Isopropyl-1,3-cyclohexanedione?
The CAS number of 4-Isopropyl-1,3-cyclohexanedione is 62831-62-3.
What is the molecular formula of 4-Isopropyl-1,3-cyclohexanedione?
The molecular formula of 4-Isopropyl-1,3-cyclohexanedione is C9H14O2.
What is the molecular weight of 4-Isopropyl-1,3-cyclohexanedione?
The molecular weight of 4-Isopropyl-1,3-cyclohexanedione is 154.10 g/mol.
Where can I buy 4-Isopropyl-1,3-cyclohexanedione?
You can request a quote for 4-Isopropyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.