Tert.-butylbutadiene
TL;DR: Tert.-butylbutadiene (CAS 1515-79-3) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethylhexa-1,3-diene
Also Known As: 1-t-butylbutadiene, tert.-butylbutadiene, 5,5-dimethyl-hexadiene, 5,5-Dimethyl-1,3-hexadiene, 5,5-dimethylhexa-1,3-diene
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 1515-79-3 |
|---|---|
| SMILES | CC(C)(C)C=CC=C |
| InChIKey | YKCQGTKPNABNLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert.-butylbutadiene (CAS 1515-79-3), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 5,5-dimethylhexa-1,3-diene.
Chemical Property Profile of Tert.-butylbutadiene
Property Insights of Tert.-butylbutadiene
The XLogP value of 3.4 indicates that Tert.-butylbutadiene 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.-butylbutadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert.-butylbutadiene 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 Tert.-butylbutadiene?
The CAS number of Tert.-butylbutadiene is 1515-79-3.
What is the molecular formula of Tert.-butylbutadiene?
The molecular formula of Tert.-butylbutadiene is C8H14.
What is the molecular weight of Tert.-butylbutadiene?
The molecular weight of Tert.-butylbutadiene is 110.11 g/mol.
Where can I buy Tert.-butylbutadiene?
You can request a quote for Tert.-butylbutadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert.-butylbutadiene?
Yes, KEHONG BIO provides custom synthesis services for Tert.-butylbutadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.