3-Hexyne, 2,5-dimethyl-
TL;DR: 3-Hexyne, 2,5-dimethyl- (CAS 927-99-1) is a chemical compound with molecular formula CC(C)C#CC(C)C 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-dimethylhex-3-yne
Also Known As: 3-Hexyne, 2,5-dimethyl-, Diisopropylacetylen, 2,5-dimethylhex-3-yne, diisopropylacetylene, 2,5-dimethyl-3-hexyne
| Molecular Formula | CC(C)C#CC(C)C |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 927-99-1 |
|---|---|
| SMILES | CC(C)C#CC(C)C |
| InChIKey | OVJGYUVBHOVELE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hexyne, 2,5-dimethyl- (CAS 927-99-1), with molecular formula CC(C)C#CC(C)C and molecular weight 110.11 g/mol. IUPAC: 2,5-dimethylhex-3-yne.
Chemical Property Profile of 3-Hexyne, 2,5-dimethyl-
Property Insights of 3-Hexyne, 2,5-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexyne, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Hexyne, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexyne, 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 3-Hexyne, 2,5-dimethyl-?
The CAS number of 3-Hexyne, 2,5-dimethyl- is 927-99-1.
What is the molecular formula of 3-Hexyne, 2,5-dimethyl-?
The molecular formula of 3-Hexyne, 2,5-dimethyl- is CC(C)C#CC(C)C.
What is the molecular weight of 3-Hexyne, 2,5-dimethyl-?
The molecular weight of 3-Hexyne, 2,5-dimethyl- is 110.11 g/mol.
Where can I buy 3-Hexyne, 2,5-dimethyl-?
You can request a quote for 3-Hexyne, 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 3-Hexyne, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexyne, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.