Pentamethylcyclopentadiene
TL;DR: Pentamethylcyclopentadiene (CAS 41539-64-4) is a chemical compound with molecular formula C10H16 and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,5,5-pentamethylcyclopenta-1,3-diene
Also Known As: Pentamethylcyclopentadiene, 1,2,3,5,5-pentamethylcyclopenta-1,3-diene, 1,2,3,5,5-pentamethylcyclopentadiene, 1,2,3,5,5 (and 1,2,4,5,5)-Pentamethylcyclopentadiene mixture, 1,2,3,5,5 (and 1,2,4,5,5)Pentamethylcyclopentadiene mixture
| Molecular Formula | C10H16 |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 41539-64-4 |
|---|---|
| SMILES | CC1=CC(C(=C1C)C)(C)C |
| InChIKey | ICWJGNMBERNILD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethylcyclopentadiene (CAS 41539-64-4), with molecular formula C10H16 and molecular weight 136.13 g/mol. IUPAC: 1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
Chemical Property Profile of Pentamethylcyclopentadiene
Property Insights of Pentamethylcyclopentadiene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamethylcyclopentadiene. With a topological polar surface area (TPSA) of 0.0 Ų, Pentamethylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylcyclopentadiene 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 Pentamethylcyclopentadiene?
The CAS number of Pentamethylcyclopentadiene is 41539-64-4.
What is the molecular formula of Pentamethylcyclopentadiene?
The molecular formula of Pentamethylcyclopentadiene is C10H16.
What is the molecular weight of Pentamethylcyclopentadiene?
The molecular weight of Pentamethylcyclopentadiene is 136.13 g/mol.
Where can I buy Pentamethylcyclopentadiene?
You can request a quote for Pentamethylcyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylcyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.