2,2-Diethylbutylbenzene
TL;DR: 2,2-Diethylbutylbenzene (CAS 53496-16-5) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylbutylbenzene
Also Known As: 2,2-diethylbutylbenzene, (2,2-diethylbutyl)benzene, POLYETHYLENE GLYCOL NONO(4TERT-NONYLPHENYL)ETHER
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 53496-16-5 |
|---|---|
| SMILES | CCC(CC)(CC)CC1=CC=CC=C1 |
| InChIKey | KHFNTMYMCUFFKF-UHFFFAOYSA-N |
Product Overview
2,2-Diethylbutylbenzene (CAS 53496-16-5), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 2,2-diethylbutylbenzene.
Chemical Property Profile of 2,2-Diethylbutylbenzene
Property Insights of 2,2-Diethylbutylbenzene
The XLogP value of 5.5 indicates that 2,2-Diethylbutylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Diethylbutylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethylbutylbenzene 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 2,2-Diethylbutylbenzene?
The CAS number of 2,2-Diethylbutylbenzene is 53496-16-5.
What is the molecular formula of 2,2-Diethylbutylbenzene?
The molecular formula of 2,2-Diethylbutylbenzene is C14H22.
What is the molecular weight of 2,2-Diethylbutylbenzene?
The molecular weight of 2,2-Diethylbutylbenzene is 190.17 g/mol.
Where can I buy 2,2-Diethylbutylbenzene?
You can request a quote for 2,2-Diethylbutylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethylbutylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethylbutylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.