3-Methylene-1,6-heptadiene
TL;DR: 3-Methylene-1,6-heptadiene (CAS 16626-48-5) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidenehepta-1,6-diene
Also Known As: 3-methylidenehepta-1,6-diene, 3-Methylene-1,6-heptadiene, 2-vinylhexadiene-1,5, 2-Vinyl-1,5-hexadiene, 1,6-Heptadiene, 3-methylene-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 16626-48-5 |
|---|---|
| SMILES | C=CCCC(=C)C=C |
| InChIKey | DOCZMKSURIPHOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylene-1,6-heptadiene (CAS 16626-48-5), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 3-methylidenehepta-1,6-diene.
Chemical Property Profile of 3-Methylene-1,6-heptadiene
Property Insights of 3-Methylene-1,6-heptadiene
The XLogP value of 3.5 indicates that 3-Methylene-1,6-heptadiene 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-Methylene-1,6-heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylene-1,6-heptadiene 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-Methylene-1,6-heptadiene?
The CAS number of 3-Methylene-1,6-heptadiene is 16626-48-5.
What is the molecular formula of 3-Methylene-1,6-heptadiene?
The molecular formula of 3-Methylene-1,6-heptadiene is C8H12.
What is the molecular weight of 3-Methylene-1,6-heptadiene?
The molecular weight of 3-Methylene-1,6-heptadiene is 108.09 g/mol.
Where can I buy 3-Methylene-1,6-heptadiene?
You can request a quote for 3-Methylene-1,6-heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylene-1,6-heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylene-1,6-heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.