2,5-Dimethyl-1,5-hexadiene
TL;DR: 2,5-Dimethyl-1,5-hexadiene (CAS 627-58-7) 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-1,5-diene
Also Known As: Bimethallyl, Dimethallyl, 2,5-DIMETHYL-1,5-HEXADIENE, 2,5-Dimethylhexa-1,5-diene, Diisobutene
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
| Vapor Pressure | 37.4 [mmHg] |
Chemical Identifiers
| CAS Number | 627-58-7 |
|---|---|
| SMILES | CC(=C)CCC(=C)C |
| InChIKey | DSAYAFZWRDYBQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-1,5-hexadiene (CAS 627-58-7), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 2,5-dimethylhexa-1,5-diene.
Chemical Property Profile of 2,5-Dimethyl-1,5-hexadiene
Property Insights of 2,5-Dimethyl-1,5-hexadiene
The XLogP value of 3.7 indicates that 2,5-Dimethyl-1,5-hexadiene 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-Dimethyl-1,5-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-1,5-hexadiene 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-Dimethyl-1,5-hexadiene?
The CAS number of 2,5-Dimethyl-1,5-hexadiene is 627-58-7.
What is the molecular formula of 2,5-Dimethyl-1,5-hexadiene?
The molecular formula of 2,5-Dimethyl-1,5-hexadiene is C8H14.
What is the molecular weight of 2,5-Dimethyl-1,5-hexadiene?
The molecular weight of 2,5-Dimethyl-1,5-hexadiene is 110.11 g/mol.
Where can I buy 2,5-Dimethyl-1,5-hexadiene?
You can request a quote for 2,5-Dimethyl-1,5-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-1,5-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-1,5-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.