2-Methylhexa-1,4-diene
TL;DR: 2-Methylhexa-1,4-diene (CAS 6108-96-9) is a chemical compound with molecular formula C7H12 and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhexa-1,4-diene
Also Known As: 2-Methylhexa-1,4-diene, 1,4-Hexadiene, 2-methyl-, 1,4-Hexadiene, 2-methyl-, (E)-, 1,4-Hexadiene, 2-methyl-, (4Z)-, RefChem:1063828
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 6108-96-9 |
|---|---|
| SMILES | CC=CCC(=C)C |
| InChIKey | XBUBWPOBEDQVOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylhexa-1,4-diene (CAS 6108-96-9), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 2-methylhexa-1,4-diene.
Chemical Property Profile of 2-Methylhexa-1,4-diene
Property Insights of 2-Methylhexa-1,4-diene
The XLogP value of 3.0 indicates that 2-Methylhexa-1,4-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Methylhexa-1,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylhexa-1,4-diene 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 2-Methylhexa-1,4-diene?
The CAS number of 2-Methylhexa-1,4-diene is 6108-96-9.
What is the molecular formula of 2-Methylhexa-1,4-diene?
The molecular formula of 2-Methylhexa-1,4-diene is C7H12.
What is the molecular weight of 2-Methylhexa-1,4-diene?
The molecular weight of 2-Methylhexa-1,4-diene is 96.09 g/mol.
Where can I buy 2-Methylhexa-1,4-diene?
You can request a quote for 2-Methylhexa-1,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylhexa-1,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylhexa-1,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.