1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
TL;DR: 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene (CAS 496862-86-3) 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-ethyl-5,5-dimethylcyclopenta-1,3-diene
Also Known As: 1,3-Cyclopentadiene, 5,5-dimethyl-1-ethyl-, 1-ethyl-5,5-dimethylcyclopenta-1,3-diene, 5,5-dimethyl-1-ethyl-1,3-cyclopentadiene, 1-Ethyl-5,5-dimethyl-1,3-cyclopentadiene #, RefChem:1055444
| Molecular Formula | C9H14 |
|---|---|
| Molecular Weight | 122.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.10955 |
| Heavy Atoms | 9 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 496862-86-3 |
|---|---|
| SMILES | CCC1=CC=CC1(C)C |
| InChIKey | BMLYRJOYQDJMOR-UHFFFAOYSA-N |
Product Overview
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene (CAS 496862-86-3), with molecular formula C9H14 and molecular weight 122.11 g/mol. IUPAC: 1-ethyl-5,5-dimethylcyclopenta-1,3-diene.
Chemical Property Profile of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
Property Insights of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
The XLogP value of 3.1 indicates that 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene 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-Ethyl-5,5-dimethylcyclopenta-1,3-diene?
The CAS number of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene is 496862-86-3.
What is the molecular formula of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene?
The molecular formula of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene is C9H14.
What is the molecular weight of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene?
The molecular weight of 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene is 122.11 g/mol.
Where can I buy 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene?
You can request a quote for 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-5,5-dimethylcyclopenta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.