3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
TL;DR: 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene (CAS 98677-98-6) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1,5-dimethylcyclohexa-1,3-diene
Also Known As: 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene, 3-methoxy-1,5-dimethylcyclohexa-1,3-diene
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 98677-98-6 |
|---|---|
| SMILES | CC1CC(=CC(=C1)OC)C |
| InChIKey | SNEXTYOVZVMOCT-UHFFFAOYSA-N |
Product Overview
3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene (CAS 98677-98-6), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 3-methoxy-1,5-dimethylcyclohexa-1,3-diene.
Chemical Property Profile of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
Property Insights of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene 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 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene?
The CAS number of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene is 98677-98-6.
What is the molecular formula of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene?
The molecular formula of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene is C9H14O.
What is the molecular weight of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene?
The molecular weight of 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene is 138.10 g/mol.
Where can I buy 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene?
You can request a quote for 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.