2-Methyl-1,5-hexadiene
TL;DR: 2-Methyl-1,5-hexadiene (CAS 4049-81-4) 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-1,5-diene
Also Known As: 2-METHYL-1,5-HEXADIENE, 2-Methylhexa-1,5-diene, 2-Methyldiallyl, 5-Methyldiallyl, 1,5-Hexadiene, 2-methyl-
| Molecular Formula | C7H12 |
|---|---|
| Molecular Weight | 96.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 96.0939 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 4049-81-4 |
|---|---|
| SMILES | CC(=C)CCC=C |
| InChIKey | SLQMKNPIYMOEGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,5-hexadiene (CAS 4049-81-4), with molecular formula C7H12 and molecular weight 96.09 g/mol. IUPAC: 2-methylhexa-1,5-diene.
Chemical Property Profile of 2-Methyl-1,5-hexadiene
Property Insights of 2-Methyl-1,5-hexadiene
The XLogP value of 3.1 indicates that 2-Methyl-1,5-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, 2-Methyl-1,5-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,5-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 2-Methyl-1,5-hexadiene?
The CAS number of 2-Methyl-1,5-hexadiene is 4049-81-4.
What is the molecular formula of 2-Methyl-1,5-hexadiene?
The molecular formula of 2-Methyl-1,5-hexadiene is C7H12.
What is the molecular weight of 2-Methyl-1,5-hexadiene?
The molecular weight of 2-Methyl-1,5-hexadiene is 96.09 g/mol.
Where can I buy 2-Methyl-1,5-hexadiene?
You can request a quote for 2-Methyl-1,5-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,5-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,5-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.