2-Butyl-1,1,3-trimethylcyclohexane
TL;DR: 2-Butyl-1,1,3-trimethylcyclohexane (CAS 54676-39-0) is a chemical compound with molecular formula C13H26 and molecular weight 182.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,1,3-trimethylcyclohexane
Also Known As: 2-Butyl-1,1,3-trimethylcyclohexane, Cyclohexane, 2-butyl-1,1,3-trimethyl-, 2-BUTYL-1,1,3-TRIMETHYL-CYCLOHEXANE, 1,1,3-Trimethyl-2-butylcyclohexane, 1,1,3-Trimethyl-2-butyl-cyclohexane
| Molecular Formula | C13H26 |
|---|---|
| Molecular Weight | 182.20 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.20345 |
| Heavy Atoms | 13 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 54676-39-0 |
|---|---|
| SMILES | CCCCC1C(CCCC1(C)C)C |
| InChIKey | PUUCZCJOATUHNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyl-1,1,3-trimethylcyclohexane (CAS 54676-39-0), with molecular formula C13H26 and molecular weight 182.20 g/mol. IUPAC: 2-butyl-1,1,3-trimethylcyclohexane.
Chemical Property Profile of 2-Butyl-1,1,3-trimethylcyclohexane
Property Insights of 2-Butyl-1,1,3-trimethylcyclohexane
The XLogP value of 6.0 indicates that 2-Butyl-1,1,3-trimethylcyclohexane 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-Butyl-1,1,3-trimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1,1,3-trimethylcyclohexane 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-Butyl-1,1,3-trimethylcyclohexane?
The CAS number of 2-Butyl-1,1,3-trimethylcyclohexane is 54676-39-0.
What is the molecular formula of 2-Butyl-1,1,3-trimethylcyclohexane?
The molecular formula of 2-Butyl-1,1,3-trimethylcyclohexane is C13H26.
What is the molecular weight of 2-Butyl-1,1,3-trimethylcyclohexane?
The molecular weight of 2-Butyl-1,1,3-trimethylcyclohexane is 182.20 g/mol.
Where can I buy 2-Butyl-1,1,3-trimethylcyclohexane?
You can request a quote for 2-Butyl-1,1,3-trimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1,1,3-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,1,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.