4-Isopropyl-2-cyclohexenone
TL;DR: 4-Isopropyl-2-cyclohexenone (CAS 500-02-7) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylcyclohex-2-en-1-one
Also Known As: Crypton, Cryptone, 4-Isopropyl-2-cyclohexenone, criptone, Kryptone
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
| Density | 0.930-0.950 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.481-1.490 |
Chemical Identifiers
| CAS Number | 500-02-7 |
|---|---|
| SMILES | CC(C)C1CCC(=O)C=C1 |
| InChIKey | AANMVENRNJYEMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropyl-2-cyclohexenone (CAS 500-02-7), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 4-propan-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of 4-Isopropyl-2-cyclohexenone
Property Insights of 4-Isopropyl-2-cyclohexenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-2-cyclohexenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Isopropyl-2-cyclohexenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-2-cyclohexenone has 0 hydrogen bond donor(s) and 1 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-2-cyclohexenone?
The CAS number of 4-Isopropyl-2-cyclohexenone is 500-02-7.
What is the molecular formula of 4-Isopropyl-2-cyclohexenone?
The molecular formula of 4-Isopropyl-2-cyclohexenone is C9H14O.
What is the molecular weight of 4-Isopropyl-2-cyclohexenone?
The molecular weight of 4-Isopropyl-2-cyclohexenone is 138.10 g/mol.
Where can I buy 4-Isopropyl-2-cyclohexenone?
You can request a quote for 4-Isopropyl-2-cyclohexenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-2-cyclohexenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-2-cyclohexenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.