1,1-Diethoxyhex-2-yne
TL;DR: 1,1-Diethoxyhex-2-yne (CAS 18229-78-2) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxyhex-2-yne
Also Known As: 1,1-Diethoxyhex-2-yne, 2-HEXYNAL DIETHYL ACETAL, 2-Hexyne, 1,1-diethoxy-, 1,1-Diethoxy-2-hexyne, 2-HEXYNALDIETHYLACETAL
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 18229-78-2 |
|---|---|
| SMILES | CCCC#CC(OCC)OCC |
| InChIKey | VUNHOKCOJYJVBT-UHFFFAOYSA-N |
Product Overview
1,1-Diethoxyhex-2-yne (CAS 18229-78-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 1,1-diethoxyhex-2-yne.
Chemical Property Profile of 1,1-Diethoxyhex-2-yne
Property Insights of 1,1-Diethoxyhex-2-yne
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethoxyhex-2-yne. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Diethoxyhex-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethoxyhex-2-yne has 0 hydrogen bond donor(s) and 2 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 1,1-Diethoxyhex-2-yne?
The CAS number of 1,1-Diethoxyhex-2-yne is 18229-78-2.
What is the molecular formula of 1,1-Diethoxyhex-2-yne?
The molecular formula of 1,1-Diethoxyhex-2-yne is C10H18O2.
What is the molecular weight of 1,1-Diethoxyhex-2-yne?
The molecular weight of 1,1-Diethoxyhex-2-yne is 170.13 g/mol.
Where can I buy 1,1-Diethoxyhex-2-yne?
You can request a quote for 1,1-Diethoxyhex-2-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethoxyhex-2-yne?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethoxyhex-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.