tert-Butylcyclopentane
TL;DR: tert-Butylcyclopentane (CAS 219997-55-4) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylcyclopentane
Also Known As: tert-Butylcyclopentane, t-butylcyclopentane, tert-Butylcyclopentane #, Deoxycholic acid Impurity 17, Cyclopentane, (1,1-dimethylethyl)-
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 219997-55-4 |
|---|---|
| SMILES | CC(C)(C)C1CCCC1 |
| InChIKey | BFWVYBVSRYIDHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butylcyclopentane (CAS 219997-55-4), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: tert-butylcyclopentane.
Chemical Property Profile of tert-Butylcyclopentane
Property Insights of tert-Butylcyclopentane
The XLogP value of 4.1 indicates that tert-Butylcyclopentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, tert-Butylcyclopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butylcyclopentane 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 tert-Butylcyclopentane?
The CAS number of tert-Butylcyclopentane is 219997-55-4.
What is the molecular formula of tert-Butylcyclopentane?
The molecular formula of tert-Butylcyclopentane is C9H18.
What is the molecular weight of tert-Butylcyclopentane?
The molecular weight of tert-Butylcyclopentane is 126.14 g/mol.
Where can I buy tert-Butylcyclopentane?
You can request a quote for tert-Butylcyclopentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylcyclopentane?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylcyclopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.