Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-
TL;DR: Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- (CAS 211563-96-1) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one
Also Known As: Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-, 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)acetone, 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)acetone #, 1-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one, 2-Propanone, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 211563-96-1 |
|---|---|
| SMILES | CC1=CCCC(C1CC(=O)C)(C)C |
| InChIKey | GVJMMSZWJCSVSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- (CAS 211563-96-1), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-2-one.
Chemical Property Profile of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-
Property Insights of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- 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 Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-?
The CAS number of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- is 211563-96-1.
What is the molecular formula of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-?
The molecular formula of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- is C12H20O.
What is the molecular weight of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-?
The molecular weight of Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- is 180.15 g/mol.
Where can I buy Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-?
You can request a quote for Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexene, 1,5,5-trimethyl-6-acetylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.