(2,2-Dimethylbutyl)benzene
TL;DR: (2,2-Dimethylbutyl)benzene (CAS 28080-86-6) is a chemical compound with molecular formula C12H18 and molecular weight 162.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylbutylbenzene
Also Known As: 2,2-dimethylbutylbenzene, (2,2-DIMETHYLBUTYL)BENZENE, 2,2-dimethyl-1-phenylbutane, Benzene, (2,2-dimethylbutyl)-, 2,2-Dimethyl-1-phenyl-butan
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
| SMILES | CCC(C)(C)CC1=CC=CC=C1 |
| InChIKey | IQUZXHOQPNGXTM-UHFFFAOYSA-N |
Chemical Property Profile of (2,2-Dimethylbutyl)benzene
Property Insights of (2,2-Dimethylbutyl)benzene
The XLogP value of 4.4 indicates that (2,2-Dimethylbutyl)benzene 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-Dimethylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-Dimethylbutyl)benzene 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
What is the CAS number of (2,2-Dimethylbutyl)benzene?
The CAS number of (2,2-Dimethylbutyl)benzene is 28080-86-6.
What is the molecular formula of (2,2-Dimethylbutyl)benzene?
The molecular formula of (2,2-Dimethylbutyl)benzene is C12H18.
What is the molecular weight of (2,2-Dimethylbutyl)benzene?
The molecular weight of (2,2-Dimethylbutyl)benzene is 162.14085 g/mol.
Where can I buy (2,2-Dimethylbutyl)benzene?
You can request a quote for (2,2-Dimethylbutyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,2-Dimethylbutyl)benzene?
Yes, CoreyChem provides custom synthesis services for (2,2-Dimethylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.