3-Methyl-2,5-hexadiene
TL;DR: 3-Methyl-2,5-hexadiene (CAS 761-76-2) is a chemical compound with molecular formula CC=C(C)CC=C and molecular weight 96.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylhexa-1,4-diene
Also Known As: 4-methylhexa-1,4-diene, 1,4-Hexadiene,4-methyl-, 1,4-Hexadiene, 4-methyl-, cis-4-Methyl-1,4-hexadiene, 3-METHYL-2,5-HEXADIENE
| Molecular Formula | CC=C(C)CC=C |
|---|---|
| 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 | 761-76-2 |
|---|---|
| SMILES | CC=C(C)CC=C |
| InChIKey | JBVMSEMQJGGOFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2,5-hexadiene (CAS 761-76-2), with molecular formula CC=C(C)CC=C and molecular weight 96.09 g/mol. IUPAC: 4-methylhexa-1,4-diene.
Chemical Property Profile of 3-Methyl-2,5-hexadiene
Property Insights of 3-Methyl-2,5-hexadiene
The XLogP value of 3.0 indicates that 3-Methyl-2,5-hexadiene 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-Methyl-2,5-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,5-hexadiene 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 3-Methyl-2,5-hexadiene?
The CAS number of 3-Methyl-2,5-hexadiene is 761-76-2.
What is the molecular formula of 3-Methyl-2,5-hexadiene?
The molecular formula of 3-Methyl-2,5-hexadiene is CC=C(C)CC=C.
What is the molecular weight of 3-Methyl-2,5-hexadiene?
The molecular weight of 3-Methyl-2,5-hexadiene is 96.09 g/mol.
Where can I buy 3-Methyl-2,5-hexadiene?
You can request a quote for 3-Methyl-2,5-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,5-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,5-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.