Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-
TL;DR: Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- (CAS 41435-93-2) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
Also Known As: EC 800-278-0, Ethanone, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-, Ethanone, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, rel-, Ethanone, (2,6,6-trimethyl-3-cyclohexen-1-yl)-, trans-, (3S,4R)-4-Acetyl-3,5,5-trimethylcyclohexene
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 41435-93-2 |
|---|---|
| SMILES | C[C@H]1C=CCC([C@@H]1C(=O)C)(C)C |
| InChIKey | WLTIDHLMFJRJHE-WPRPVWTQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- (CAS 41435-93-2), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 1-[(1R,2S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone.
Chemical Property Profile of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-
Property Insights of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- 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-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-?
The CAS number of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- is 41435-93-2.
What is the molecular formula of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-?
The molecular formula of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- is C11H18O.
What is the molecular weight of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-?
The molecular weight of Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- is 166.14 g/mol.
Where can I buy Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-?
You can request a quote for Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-((1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl)-, rel- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.