5-Methylcyclopentadiene
TL;DR: 5-Methylcyclopentadiene (CAS 96-38-8) is a chemical compound with molecular formula C6H8 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylcyclopenta-1,3-diene
Also Known As: 5-Methylcyclopentadiene, 5-methylcyclopenta-1,3-diene, 5-Methyl-1,3-cyclopentadiene, Methylcyclopentadiene, 1,3-Cyclopentadiene, 5-methyl-
| Molecular Formula | C6H8 |
|---|---|
| Molecular Weight | 80.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 96-38-8 |
|---|---|
| SMILES | CC1C=CC=C1 |
| InChIKey | QVRBGKYLLCLCHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylcyclopentadiene (CAS 96-38-8), with molecular formula C6H8 and molecular weight 80.06 g/mol. IUPAC: 5-methylcyclopenta-1,3-diene.
Chemical Property Profile of 5-Methylcyclopentadiene
Property Insights of 5-Methylcyclopentadiene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylcyclopentadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Methylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylcyclopentadiene 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-Methylcyclopentadiene?
The CAS number of 5-Methylcyclopentadiene is 96-38-8.
What is the molecular formula of 5-Methylcyclopentadiene?
The molecular formula of 5-Methylcyclopentadiene is C6H8.
What is the molecular weight of 5-Methylcyclopentadiene?
The molecular weight of 5-Methylcyclopentadiene is 80.06 g/mol.
Where can I buy 5-Methylcyclopentadiene?
You can request a quote for 5-Methylcyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylcyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.