tert-Butyldecalin
TL;DR: tert-Butyldecalin (CAS 56292-64-9) is a chemical compound with molecular formula C14H26 and molecular weight 194.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: tert-Butyldecalin, 1-tert-butyldecalin, Naphthalene, tert-butyldecahydro-, 1-tert-Butyldecahydronaphthalene #, 1-(1,1-Dimethylethyl)decahydronaphthalene
| Molecular Formula | C14H26 |
|---|---|
| Molecular Weight | 194.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.20345 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 56292-64-9 |
|---|---|
| SMILES | CC(C)(C)C1CCCC2C1CCCC2 |
| InChIKey | WBLIUUUYEJAFDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyldecalin (CAS 56292-64-9), with molecular formula C14H26 and molecular weight 194.20 g/mol. IUPAC: 1-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of tert-Butyldecalin
Property Insights of tert-Butyldecalin
The XLogP value of 6.1 indicates that tert-Butyldecalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, tert-Butyldecalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyldecalin 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 tert-Butyldecalin?
The CAS number of tert-Butyldecalin is 56292-64-9.
What is the molecular formula of tert-Butyldecalin?
The molecular formula of tert-Butyldecalin is C14H26.
What is the molecular weight of tert-Butyldecalin?
The molecular weight of tert-Butyldecalin is 194.20 g/mol.
Where can I buy tert-Butyldecalin?
You can request a quote for tert-Butyldecalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyldecalin?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyldecalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.