3,4-Dimethylenecyclobut-1-ene
TL;DR: 3,4-Dimethylenecyclobut-1-ene (CAS 5291-90-7) is a chemical compound with molecular formula C6H6 and molecular weight 78.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylidenecyclobutene
Also Known As: 3,4-Dimethylenecyclobut-1-ene, 3,4-dimethylenecyclobutene, 3,4-dimethylidenecyclobutene, 3,4-Bismethylenecyclobutene, Cyclobutene, bis(methylene)-
| Molecular Formula | C6H6 |
|---|---|
| Molecular Weight | 78.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 78.04695 |
| Heavy Atoms | 6 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 5291-90-7 |
|---|---|
| SMILES | C=C1C=CC1=C |
| InChIKey | WHCRVRGGFVUMOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylenecyclobut-1-ene (CAS 5291-90-7), with molecular formula C6H6 and molecular weight 78.05 g/mol. IUPAC: 3,4-dimethylidenecyclobutene.
Chemical Property Profile of 3,4-Dimethylenecyclobut-1-ene
Property Insights of 3,4-Dimethylenecyclobut-1-ene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylenecyclobut-1-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dimethylenecyclobut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylenecyclobut-1-ene 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 3,4-Dimethylenecyclobut-1-ene?
The CAS number of 3,4-Dimethylenecyclobut-1-ene is 5291-90-7.
What is the molecular formula of 3,4-Dimethylenecyclobut-1-ene?
The molecular formula of 3,4-Dimethylenecyclobut-1-ene is C6H6.
What is the molecular weight of 3,4-Dimethylenecyclobut-1-ene?
The molecular weight of 3,4-Dimethylenecyclobut-1-ene is 78.05 g/mol.
Where can I buy 3,4-Dimethylenecyclobut-1-ene?
You can request a quote for 3,4-Dimethylenecyclobut-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylenecyclobut-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylenecyclobut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.