1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)
TL;DR: 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) (CAS 3728-55-0) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-methylcyclohexane
Also Known As: 1-Ethyl-3-methylcyclohexane, 3-methyl benzene, 1-methyl-3-ethylcyclohexane, Cyclohexane, 1-ethyl-3-methyl-, trans-1-Ethyl-3-methylcyclohexane
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 3728-55-0 |
|---|---|
| SMILES | CCC1CCCC(C1)C |
| InChIKey | UDDVMPHNQKRNNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) (CAS 3728-55-0), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 1-ethyl-3-methylcyclohexane.
Chemical Property Profile of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)
Property Insights of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)
The XLogP value of 4.3 indicates that 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) has 0 hydrogen bond donor(s) and 0 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 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)?
The CAS number of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) is 3728-55-0.
What is the molecular formula of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)?
The molecular formula of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) is C9H18.
What is the molecular weight of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)?
The molecular weight of 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) is 126.14 g/mol.
Where can I buy 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)?
You can request a quote for 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture)?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-3-methylcyclohexane (cis-and trans-mixture) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.