(1,1-Dimethylbutyl)benzene
TL;DR: (1,1-Dimethylbutyl)benzene (CAS 1985-57-5) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentan-2-ylbenzene
Also Known As: (1,1-DIMETHYLBUTYL)BENZENE, 2-methylpentan-2-ylbenzene, Benzene, (1,1-dimethylbutyl)-, 2-Methyl-2-phenylpentane, (2-Methylpentan-2-yl)benzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 1985-57-5 |
|---|---|
| SMILES | CCCC(C)(C)C1=CC=CC=C1 |
| InChIKey | PIUUDKDOAUICQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1-Dimethylbutyl)benzene (CAS 1985-57-5), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2-methylpentan-2-ylbenzene.
Chemical Property Profile of (1,1-Dimethylbutyl)benzene
Property Insights of (1,1-Dimethylbutyl)benzene
The XLogP value of 5.2 indicates that (1,1-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, (1,1-Dimethylbutyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1-Dimethylbutyl)benzene 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-Dimethylbutyl)benzene?
The CAS number of (1,1-Dimethylbutyl)benzene is 1985-57-5.
What is the molecular formula of (1,1-Dimethylbutyl)benzene?
The molecular formula of (1,1-Dimethylbutyl)benzene is C12H18.
What is the molecular weight of (1,1-Dimethylbutyl)benzene?
The molecular weight of (1,1-Dimethylbutyl)benzene is 162.14 g/mol.
Where can I buy (1,1-Dimethylbutyl)benzene?
You can request a quote for (1,1-Dimethylbutyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-Dimethylbutyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dimethylbutyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.