2,2-Dimethyl-3-octyne
TL;DR: 2,2-Dimethyl-3-octyne (CAS 19605-80-2) is a chemical compound with molecular formula C10H18 and molecular weight 138.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyloct-3-yne
Also Known As: 2,2-Dimethyl-3-octyne, 2,2-dimethyloct-3-yne, 3-Octyne, 2,2-dimethyl-, 2,2-Dimethyl-3-octyne., 2,2-dimethyl-oct-3-yne
| Molecular Formula | C10H18 |
|---|---|
| Molecular Weight | 138.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.14085 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 19605-80-2 |
|---|---|
| SMILES | CCCCC#CC(C)(C)C |
| InChIKey | XBLMXBDWMYMTLK-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-octyne (CAS 19605-80-2), with molecular formula C10H18 and molecular weight 138.14 g/mol. IUPAC: 2,2-dimethyloct-3-yne.
Chemical Property Profile of 2,2-Dimethyl-3-octyne
Property Insights of 2,2-Dimethyl-3-octyne
The XLogP value of 4.2 indicates that 2,2-Dimethyl-3-octyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dimethyl-3-octyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-octyne 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 2,2-Dimethyl-3-octyne?
The CAS number of 2,2-Dimethyl-3-octyne is 19605-80-2.
What is the molecular formula of 2,2-Dimethyl-3-octyne?
The molecular formula of 2,2-Dimethyl-3-octyne is C10H18.
What is the molecular weight of 2,2-Dimethyl-3-octyne?
The molecular weight of 2,2-Dimethyl-3-octyne is 138.14 g/mol.
Where can I buy 2,2-Dimethyl-3-octyne?
You can request a quote for 2,2-Dimethyl-3-octyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-octyne?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-octyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.