1-Dodecen-3-yne
TL;DR: 1-Dodecen-3-yne (CAS 74744-36-8) is a chemical compound with molecular formula C12H20 and molecular weight 164.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodec-1-en-3-yne
Also Known As: 1-Dodecen-3-yne, dodec-1-en-3-yne, 1-dodecene-3-yne
| Molecular Formula | C12H20 |
|---|---|
| Molecular Weight | 164.16 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.1565 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 74744-36-8 |
|---|---|
| SMILES | CCCCCCCCC#CC=C |
| InChIKey | LLESGDAMQLBSDO-UHFFFAOYSA-N |
Product Overview
1-Dodecen-3-yne (CAS 74744-36-8), with molecular formula C12H20 and molecular weight 164.16 g/mol. IUPAC: dodec-1-en-3-yne.
Chemical Property Profile of 1-Dodecen-3-yne
Property Insights of 1-Dodecen-3-yne
The XLogP value of 5.5 indicates that 1-Dodecen-3-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Dodecen-3-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dodecen-3-yne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Dodecen-3-yne?
The CAS number of 1-Dodecen-3-yne is 74744-36-8.
What is the molecular formula of 1-Dodecen-3-yne?
The molecular formula of 1-Dodecen-3-yne is C12H20.
What is the molecular weight of 1-Dodecen-3-yne?
The molecular weight of 1-Dodecen-3-yne is 164.16 g/mol.
Where can I buy 1-Dodecen-3-yne?
You can request a quote for 1-Dodecen-3-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecen-3-yne?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecen-3-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.