1,3-Cyclohexanedione, 2-(1-methylethyl)-
TL;DR: 1,3-Cyclohexanedione, 2-(1-methylethyl)- (CAS 3401-01-2) 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.
2-propan-2-ylcyclohexane-1,3-dione
Also Known As: 2-isopropylcyclohexane-1,3-dione, 2-isopropyl-cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-(1-methylethyl)-, 2-propan-2-ylcyclohexane-1,3-dione, 2-(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 | 166.0 |
Chemical Identifiers
| CAS Number | 3401-01-2 |
|---|---|
| SMILES | CC(C)C1C(=O)CCCC1=O |
| InChIKey | WMBGJGJGUQFEEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedione, 2-(1-methylethyl)- (CAS 3401-01-2), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-propan-2-ylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2-(1-methylethyl)-
Property Insights of 1,3-Cyclohexanedione, 2-(1-methylethyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-(1-methylethyl)-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione, 2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-(1-methylethyl)- 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 1,3-Cyclohexanedione, 2-(1-methylethyl)-?
The CAS number of 1,3-Cyclohexanedione, 2-(1-methylethyl)- is 3401-01-2.
What is the molecular formula of 1,3-Cyclohexanedione, 2-(1-methylethyl)-?
The molecular formula of 1,3-Cyclohexanedione, 2-(1-methylethyl)- is C9H14O2.
What is the molecular weight of 1,3-Cyclohexanedione, 2-(1-methylethyl)-?
The molecular weight of 1,3-Cyclohexanedione, 2-(1-methylethyl)- is 154.10 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-(1-methylethyl)-?
You can request a quote for 1,3-Cyclohexanedione, 2-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 2-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.