2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- (CAS 28017-79-0) 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.
5,5-dimethyl-3-propan-2-ylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-, 5,5-Dimethyl-3-isopropyl-cyclohex-2-enon, 5,5-dimethyl-3-propan-2-ylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 5,5-dimethyl-3-(1-methylethyl)-, 5,5-dimethyl-3-(propan-2-yl)cyclohex-2-en-1-one
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.4 |
| 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 | 221.0 |
Chemical Identifiers
| CAS Number | 28017-79-0 |
|---|---|
| SMILES | CC(C)C1=CC(=O)CC(C1)(C)C |
| InChIKey | MYUGFXPFGVRZED-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- (CAS 28017-79-0), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 5,5-dimethyl-3-propan-2-ylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- 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 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- is 28017-79-0.
What is the molecular formula of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- is C11H18O.
What is the molecular weight of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- is 166.14 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-isopropyl-5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.