1-(1,2,2-Trimethylpropyl)hexylbenzene
TL;DR: 1-(1,2,2-Trimethylpropyl)hexylbenzene (CAS 55134-06-0) is a chemical compound with molecular formula C18H30 and molecular weight 246.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethylnonan-4-ylbenzene
Also Known As: 1-(1,2,2-Trimethylpropyl)hexylbenzene, 2,2,3-trimethylnonan-4-ylbenzene, 4-phenyl-2,2,3-trimethyl-nonane, (2,2,3-trimethylnonan-4-yl)benzene, [1-(1,2,2-Trimethylpropyl)hexyl]benzene
| Molecular Formula | C18H30 |
|---|---|
| Molecular Weight | 246.23 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.23476 |
| Heavy Atoms | 18 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 55134-06-0 |
|---|---|
| SMILES | CCCCCC(C1=CC=CC=C1)C(C)C(C)(C)C |
| InChIKey | WQXGUFTUELTYRA-UHFFFAOYSA-N |
Product Overview
1-(1,2,2-Trimethylpropyl)hexylbenzene (CAS 55134-06-0), with molecular formula C18H30 and molecular weight 246.23 g/mol. IUPAC: 2,2,3-trimethylnonan-4-ylbenzene.
Chemical Property Profile of 1-(1,2,2-Trimethylpropyl)hexylbenzene
Property Insights of 1-(1,2,2-Trimethylpropyl)hexylbenzene
The XLogP value of 7.2 indicates that 1-(1,2,2-Trimethylpropyl)hexylbenzene 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-(1,2,2-Trimethylpropyl)hexylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,2,2-Trimethylpropyl)hexylbenzene 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-(1,2,2-Trimethylpropyl)hexylbenzene?
The CAS number of 1-(1,2,2-Trimethylpropyl)hexylbenzene is 55134-06-0.
What is the molecular formula of 1-(1,2,2-Trimethylpropyl)hexylbenzene?
The molecular formula of 1-(1,2,2-Trimethylpropyl)hexylbenzene is C18H30.
What is the molecular weight of 1-(1,2,2-Trimethylpropyl)hexylbenzene?
The molecular weight of 1-(1,2,2-Trimethylpropyl)hexylbenzene is 246.23 g/mol.
Where can I buy 1-(1,2,2-Trimethylpropyl)hexylbenzene?
You can request a quote for 1-(1,2,2-Trimethylpropyl)hexylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,2,2-Trimethylpropyl)hexylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,2,2-Trimethylpropyl)hexylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.