2,5-Dimethylhexa-1,3-diene
TL;DR: 2,5-Dimethylhexa-1,3-diene (CAS 29253-64-3) 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.
2,5-dimethylhexa-1,3-diene
Also Known As: Hexadiene, 2,5-dimethyl-, 2,5-DIMETHYLHEXA-1,3-DIENE
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.5 |
| 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 | 96.0 |
Chemical Identifiers
| CAS Number | 29253-64-3 |
|---|---|
| SMILES | CC(C)C=CC(=C)C |
| InChIKey | WFJQGQNVERCLOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylhexa-1,3-diene (CAS 29253-64-3), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 2,5-dimethylhexa-1,3-diene.
Chemical Property Profile of 2,5-Dimethylhexa-1,3-diene
Property Insights of 2,5-Dimethylhexa-1,3-diene
The XLogP value of 3.5 indicates that 2,5-Dimethylhexa-1,3-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,5-Dimethylhexa-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethylhexa-1,3-diene 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 2,5-Dimethylhexa-1,3-diene?
The CAS number of 2,5-Dimethylhexa-1,3-diene is 29253-64-3.
What is the molecular formula of 2,5-Dimethylhexa-1,3-diene?
The molecular formula of 2,5-Dimethylhexa-1,3-diene is C8H14.
What is the molecular weight of 2,5-Dimethylhexa-1,3-diene?
The molecular weight of 2,5-Dimethylhexa-1,3-diene is 110.11 g/mol.
Where can I buy 2,5-Dimethylhexa-1,3-diene?
You can request a quote for 2,5-Dimethylhexa-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethylhexa-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylhexa-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.