5-Methyl-1,2-hexadiene
TL;DR: 5-Methyl-1,2-hexadiene (CAS 13865-36-6) 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.
5-methylhexa-1,2-diene
Also Known As: 5-Methyl-1,2-hexadiene, 5-methylhexa-1,2-diene, 1,2-Hexadiene, 5-methyl-, 5-Methyl-1,2-hexadiene #, RefChem:1073074
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 2.3 |
| 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 | 74.0 |
Chemical Identifiers
| CAS Number | 13865-36-6 |
|---|---|
| SMILES | CC(C)CC=C=C |
| InChIKey | NEYLAVKYYZDLIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1,2-hexadiene (CAS 13865-36-6), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 5-methylhexa-1,2-diene.
Chemical Property Profile of 5-Methyl-1,2-hexadiene
Property Insights of 5-Methyl-1,2-hexadiene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1,2-hexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Methyl-1,2-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,2-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 5-Methyl-1,2-hexadiene?
The CAS number of 5-Methyl-1,2-hexadiene is 13865-36-6.
What is the molecular formula of 5-Methyl-1,2-hexadiene?
The molecular formula of 5-Methyl-1,2-hexadiene is C7H12.
What is the molecular weight of 5-Methyl-1,2-hexadiene?
The molecular weight of 5-Methyl-1,2-hexadiene is 96.09 g/mol.
Where can I buy 5-Methyl-1,2-hexadiene?
You can request a quote for 5-Methyl-1,2-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,2-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,2-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.