1,1-Dicyclopentylethane
TL;DR: 1,1-Dicyclopentylethane (CAS 4413-21-2) is a chemical compound with molecular formula C12H22 and molecular weight 166.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentylethylcyclopentane
Also Known As: 1,1-Dicyclopentylethane, Ethane, 1,1-dicyclopentyl-, 1-cyclopentylethylcyclopentane, Ethane,1-dicyclopentyl-, Cyclopentane, 1,1'-ethylidenebis-
| Molecular Formula | C12H22 |
|---|---|
| Molecular Weight | 166.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.17215 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 4413-21-2 |
|---|---|
| SMILES | CC(C1CCCC1)C2CCCC2 |
| InChIKey | XWKIKXOZAGBKSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dicyclopentylethane (CAS 4413-21-2), with molecular formula C12H22 and molecular weight 166.17 g/mol. IUPAC: 1-cyclopentylethylcyclopentane.
Chemical Property Profile of 1,1-Dicyclopentylethane
Property Insights of 1,1-Dicyclopentylethane
The XLogP value of 5.4 indicates that 1,1-Dicyclopentylethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dicyclopentylethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dicyclopentylethane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dicyclopentylethane?
The CAS number of 1,1-Dicyclopentylethane is 4413-21-2.
What is the molecular formula of 1,1-Dicyclopentylethane?
The molecular formula of 1,1-Dicyclopentylethane is C12H22.
What is the molecular weight of 1,1-Dicyclopentylethane?
The molecular weight of 1,1-Dicyclopentylethane is 166.17 g/mol.
Where can I buy 1,1-Dicyclopentylethane?
You can request a quote for 1,1-Dicyclopentylethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dicyclopentylethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dicyclopentylethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.