Hexa-1,5-diene-3-yne, 2,5-dimethyl-
TL;DR: Hexa-1,5-diene-3-yne, 2,5-dimethyl- (CAS 3725-05-1) is a chemical compound with molecular formula C8H10 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylhexa-1,5-dien-3-yne
Also Known As: 2,5-dimethylhexa-1,5-dien-3-yne, Hexa-1,5-diene-3-yne, 2,5-dimethyl-, 1,5-Hexadien-3-yne, 2,5-dimethyl-, 2,5-dimethyl-hexa-1,5-dien-3-yne, 2,5-Dimethyl-1,5-hexadiene-3-yne
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 106.08 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 | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 3725-05-1 |
|---|---|
| SMILES | CC(=C)C#CC(=C)C |
| InChIKey | QZXJPGFNLZJNAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexa-1,5-diene-3-yne, 2,5-dimethyl- (CAS 3725-05-1), with molecular formula C8H10 and molecular weight 106.08 g/mol. IUPAC: 2,5-dimethylhexa-1,5-dien-3-yne.
Chemical Property Profile of Hexa-1,5-diene-3-yne, 2,5-dimethyl-
Property Insights of Hexa-1,5-diene-3-yne, 2,5-dimethyl-
The XLogP value of 3.5 indicates that Hexa-1,5-diene-3-yne, 2,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexa-1,5-diene-3-yne, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-1,5-diene-3-yne, 2,5-dimethyl- 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 Hexa-1,5-diene-3-yne, 2,5-dimethyl-?
The CAS number of Hexa-1,5-diene-3-yne, 2,5-dimethyl- is 3725-05-1.
What is the molecular formula of Hexa-1,5-diene-3-yne, 2,5-dimethyl-?
The molecular formula of Hexa-1,5-diene-3-yne, 2,5-dimethyl- is C8H10.
What is the molecular weight of Hexa-1,5-diene-3-yne, 2,5-dimethyl-?
The molecular weight of Hexa-1,5-diene-3-yne, 2,5-dimethyl- is 106.08 g/mol.
Where can I buy Hexa-1,5-diene-3-yne, 2,5-dimethyl-?
You can request a quote for Hexa-1,5-diene-3-yne, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-1,5-diene-3-yne, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexa-1,5-diene-3-yne, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.