2-Cyclohexen-1-one, 3,4-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 3,4-dimethyl- (CAS 89162-97-0) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 3,4-dimethyl-, 3,4-dimethylcyclohex-2-en-1-one, 3,4-dimethyl-cyclohex-2-enone, 3,4-Dimethyl-2-cyclohexen-1-one, 3,4-Dimethyl-2-cyclohexen-1-one #
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 89162-97-0 |
|---|---|
| SMILES | CC1CCC(=O)C=C1C |
| InChIKey | NDFYWJZFESRLBQ-UHFFFAOYSA-N |
Product Overview
2-Cyclohexen-1-one, 3,4-dimethyl- (CAS 89162-97-0), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 3,4-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3,4-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 3,4-dimethyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3,4-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, 3,4-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3,4-dimethyl- is 89162-97-0.
What is the molecular formula of 2-Cyclohexen-1-one, 3,4-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3,4-dimethyl- is C8H12O.
What is the molecular weight of 2-Cyclohexen-1-one, 3,4-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3,4-dimethyl- is 124.09 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3,4-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3,4-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, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.