![2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene structure](/static/products/1686/16863-61-9.webp)
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
TL;DR: 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene (CAS 16863-61-9) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
Also Known As: cis-Tonghaosu, (E)-Tonghaosu, (Z)-Tonghaosu, Tonghaosu, (E)-, Tonghaosu, (Z)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.08372 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.08372 Da |
| Heavy Atoms | 15 |
| Complexity | 444.0 |
| SMILES | CC#CC#CC=C1C=CC2(O1)CCCO2 |
| InChIKey | WTRXKCNFPMTAJV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
Property Insights of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene 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
What is the CAS number of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene?
The CAS number of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene is 16863-61-9.
What is the molecular formula of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene?
The molecular formula of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene is C13H12O2.
What is the molecular weight of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene?
The molecular weight of 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene is 200.08372 g/mol.
Where can I buy 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene?
You can request a quote for 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene?
Yes, CoreyChem provides custom synthesis services for 2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.