2-Heptyn-1-al-diethyl acetal
TL;DR: 2-Heptyn-1-al-diethyl acetal (CAS 18232-30-9) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethoxyhept-2-yne
Also Known As: 1,1-diethoxyhept-2-yne, 2-Heptynal diethyl acetal, 2-Heptyn-1-al-diethyl acetal, hept-2-ynal-diethylacetale, 2-Heptyn-1-al diethyl acetal
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 18232-30-9 |
|---|---|
| SMILES | CCCCC#CC(OCC)OCC |
| InChIKey | NKXTVBJJMIROGV-UHFFFAOYSA-N |
Product Overview
2-Heptyn-1-al-diethyl acetal (CAS 18232-30-9), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 1,1-diethoxyhept-2-yne.
Chemical Property Profile of 2-Heptyn-1-al-diethyl acetal
Property Insights of 2-Heptyn-1-al-diethyl acetal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptyn-1-al-diethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Heptyn-1-al-diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptyn-1-al-diethyl acetal 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 2-Heptyn-1-al-diethyl acetal?
The CAS number of 2-Heptyn-1-al-diethyl acetal is 18232-30-9.
What is the molecular formula of 2-Heptyn-1-al-diethyl acetal?
The molecular formula of 2-Heptyn-1-al-diethyl acetal is C11H20O2.
What is the molecular weight of 2-Heptyn-1-al-diethyl acetal?
The molecular weight of 2-Heptyn-1-al-diethyl acetal is 184.15 g/mol.
Where can I buy 2-Heptyn-1-al-diethyl acetal?
You can request a quote for 2-Heptyn-1-al-diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyn-1-al-diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyn-1-al-diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.