Ethanone, 1-(methylcyclohexenyl)-
TL;DR: Ethanone, 1-(methylcyclohexenyl)- (CAS 2047-97-4) 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.
1-(2-methylcyclohexen-1-yl)ethanone
Also Known As: Ethanone, 1-(methylcyclohexenyl)-, 1-(Methylcyclohexenyl)ethanone, 1-Acetyl-2-methylcyclohexene, (2-methylcyclohexenyl)ethanone, 1-Methyl-2-acetylcyclohexen-1
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.8 |
| 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 | 177.0 |
Chemical Identifiers
| CAS Number | 2047-97-4 |
|---|---|
| SMILES | CC1=C(CCCC1)C(=O)C |
| InChIKey | ZLSWYDUVHMPLTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(methylcyclohexenyl)- (CAS 2047-97-4), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 1-(2-methylcyclohexen-1-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(methylcyclohexenyl)-
Property Insights of Ethanone, 1-(methylcyclohexenyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(methylcyclohexenyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-(methylcyclohexenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(methylcyclohexenyl)- 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 Ethanone, 1-(methylcyclohexenyl)-?
The CAS number of Ethanone, 1-(methylcyclohexenyl)- is 2047-97-4.
What is the molecular formula of Ethanone, 1-(methylcyclohexenyl)-?
The molecular formula of Ethanone, 1-(methylcyclohexenyl)- is C9H14O.
What is the molecular weight of Ethanone, 1-(methylcyclohexenyl)-?
The molecular weight of Ethanone, 1-(methylcyclohexenyl)- is 138.10 g/mol.
Where can I buy Ethanone, 1-(methylcyclohexenyl)-?
You can request a quote for Ethanone, 1-(methylcyclohexenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(methylcyclohexenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(methylcyclohexenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.