(3-Methylpentan-3-yl)benzene
TL;DR: (3-Methylpentan-3-yl)benzene (CAS 19938-46-6) 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.
3-methylpentan-3-ylbenzene
Also Known As: (3-methylpentan-3-yl)benzene, 3-methylpentan-3-ylbenzene, (1-ethyl-1-methylpropyl)benzene, 1-(3-methylpentan-3-yl)benzene, 1-Ethyl-1-methylpropylbenzene
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.7 |
| 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 | 116.0 |
Chemical Identifiers
| CAS Number | 19938-46-6 |
|---|---|
| SMILES | CCC(C)(CC)C1=CC=CC=C1 |
| InChIKey | HZZKTLLPQSFICU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methylpentan-3-yl)benzene (CAS 19938-46-6), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 3-methylpentan-3-ylbenzene.
Chemical Property Profile of (3-Methylpentan-3-yl)benzene
Property Insights of (3-Methylpentan-3-yl)benzene
The XLogP value of 4.7 indicates that (3-Methylpentan-3-yl)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, (3-Methylpentan-3-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylpentan-3-yl)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
Frequently Asked Questions
What is the CAS number of (3-Methylpentan-3-yl)benzene?
The CAS number of (3-Methylpentan-3-yl)benzene is 19938-46-6.
What is the molecular formula of (3-Methylpentan-3-yl)benzene?
The molecular formula of (3-Methylpentan-3-yl)benzene is C12H18.
What is the molecular weight of (3-Methylpentan-3-yl)benzene?
The molecular weight of (3-Methylpentan-3-yl)benzene is 162.14 g/mol.
Where can I buy (3-Methylpentan-3-yl)benzene?
You can request a quote for (3-Methylpentan-3-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylpentan-3-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylpentan-3-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.