3-Ethyl-2-methyl-1,3-hexadien
TL;DR: 3-Ethyl-2-methyl-1,3-hexadien (CAS 61142-36-7) is a chemical compound with molecular formula C9H16 and molecular weight 124.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-methylhexa-1,3-diene
Also Known As: 1,3-Hexadiene,3-ethyl-2-methyl-, 1,3-Hexadiene, 3-ethyl-2-methyl-, 3-ETHYL-2-METHYL-1,3-HEXADIENE, 3-ETHYL-2-METHYL-1,3-HEXADIEN, 3-ETHYL-2-METHYLHEXA-1,3-DIENE
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16 |
| Molecular Weight | 124.1252 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.1252 Da |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
| SMILES | CCC=C(CC)C(=C)C |
| InChIKey | ICVZMTIGTXBIHI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-2-methyl-1,3-hexadien
Property Insights of 3-Ethyl-2-methyl-1,3-hexadien
The XLogP value of 4.2 indicates that 3-Ethyl-2-methyl-1,3-hexadien is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethyl-2-methyl-1,3-hexadien exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-methyl-1,3-hexadien 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
What is the CAS number of 3-Ethyl-2-methyl-1,3-hexadien?
The CAS number of 3-Ethyl-2-methyl-1,3-hexadien is 61142-36-7.
What is the molecular formula of 3-Ethyl-2-methyl-1,3-hexadien?
The molecular formula of 3-Ethyl-2-methyl-1,3-hexadien is C9H16.
What is the molecular weight of 3-Ethyl-2-methyl-1,3-hexadien?
The molecular weight of 3-Ethyl-2-methyl-1,3-hexadien is 124.1252 g/mol.
Where can I buy 3-Ethyl-2-methyl-1,3-hexadien?
You can request a quote for 3-Ethyl-2-methyl-1,3-hexadien directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2-methyl-1,3-hexadien?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2-methyl-1,3-hexadien and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.