1,4,5,5-Tetramethylcyclopentadiene
TL;DR: 1,4,5,5-Tetramethylcyclopentadiene (CAS 4249-11-0) is a chemical compound with molecular formula C9H14 and molecular weight 122.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,5-tetramethylcyclopenta-1,3-diene
Also Known As: 1,4,5,5-Tetramethylcyclopentadiene, 1,4,5,5-tetramethylcyclopenta-1,3-diene, 1,3-Cyclopentadiene, 1,4,5,5-tetramethyl-
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 4249-11-0 |
|---|---|
| SMILES | CC1=CC=C(C1(C)C)C |
| InChIKey | LSFQBLLDQCVIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5,5-Tetramethylcyclopentadiene (CAS 4249-11-0), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 1,4,5,5-tetramethylcyclopenta-1,3-diene.
Chemical Property Profile of 1,4,5,5-Tetramethylcyclopentadiene
Property Insights of 1,4,5,5-Tetramethylcyclopentadiene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,5-Tetramethylcyclopentadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,5,5-Tetramethylcyclopentadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,5-Tetramethylcyclopentadiene 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 1,4,5,5-Tetramethylcyclopentadiene?
The CAS number of 1,4,5,5-Tetramethylcyclopentadiene is 4249-11-0.
What is the molecular formula of 1,4,5,5-Tetramethylcyclopentadiene?
The molecular formula of 1,4,5,5-Tetramethylcyclopentadiene is C9H14.
What is the molecular weight of 1,4,5,5-Tetramethylcyclopentadiene?
The molecular weight of 1,4,5,5-Tetramethylcyclopentadiene is 122.11 g/mol.
Where can I buy 1,4,5,5-Tetramethylcyclopentadiene?
You can request a quote for 1,4,5,5-Tetramethylcyclopentadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,5-Tetramethylcyclopentadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,5-Tetramethylcyclopentadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.