Isopropenyl Isopren
TL;DR: Isopropenyl Isopren (CAS 41233-74-3) 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.
2,5-dimethylhexa-1,3,5-triene
Also Known As: Isopropenyl Isopren, 2,5-dimethylhexa-1,3,5-triene, 2,5-dimethyl-hexa-1,3,5-triene, 2,5-Dimethyl (E)-1,3,5-hexatriene, 1,3,5-Hexatriene, 2,5-dimethyl-, (Z)-
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 41233-74-3 |
|---|---|
| SMILES | CC(=C)C=CC(=C)C |
| InChIKey | ZVFFWOKVVPSTAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropenyl Isopren (CAS 41233-74-3), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 2,5-dimethylhexa-1,3,5-triene.
Chemical Property Profile of Isopropenyl Isopren
Property Insights of Isopropenyl Isopren
The XLogP value of 3.7 indicates that Isopropenyl Isopren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isopropenyl Isopren exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropenyl Isopren 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 Isopropenyl Isopren?
The CAS number of Isopropenyl Isopren is 41233-74-3.
What is the molecular formula of Isopropenyl Isopren?
The molecular formula of Isopropenyl Isopren is C8H12.
What is the molecular weight of Isopropenyl Isopren?
The molecular weight of Isopropenyl Isopren is 108.09 g/mol.
Where can I buy Isopropenyl Isopren?
You can request a quote for Isopropenyl Isopren directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropenyl Isopren?
Yes, KEHONG BIO provides custom synthesis services for Isopropenyl Isopren and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.