2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
TL;DR: 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- (CAS 4683-45-8) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-methoxy-5,5-dimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-, 3-Methoxy-5,5-dimethylcyclohex-2-enone, 5,5-Dimethyl-3-methoxycyclohex-2-enone, 3-methoxy-5,5-dimethyl-cyclohex-2-enone
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 4683-45-8 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)OC)C |
| InChIKey | SXEZZXWNGLQKSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- (CAS 4683-45-8), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 3-methoxy-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
Property Insights of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- has 0 hydrogen bond donor(s) and 2 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-methoxy-5,5-dimethyl-?
The CAS number of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- is 4683-45-8.
What is the molecular formula of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- is C9H14O2.
What is the molecular weight of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- is 154.10 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-methoxy-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-methoxy-5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.