![Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- structure](/static/products/3608/3608-11-5.webp)
Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-
TL;DR: Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- (CAS 3608-11-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone
Also Known As: Acetylcarene, herbal carene, 4-Acetyl-2-carene, ACETYL CARENE, 4-Acetylcaran-2-ene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 3608-11-5 |
|---|---|
| SMILES | CC1=CC2C(C2(C)C)CC1C(=O)C |
| InChIKey | DXLORVVCLBWYCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- (CAS 3608-11-5), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)ethanone.
Chemical Property Profile of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-
Property Insights of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- 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-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-?
The CAS number of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- is 3608-11-5.
What is the molecular formula of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-?
The molecular formula of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- is C12H18O.
What is the molecular weight of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-?
The molecular weight of Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- is 178.14 g/mol.
Where can I buy Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-?
You can request a quote for Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.