3,3,6,6-Tetramethyl-octa-1,7-diyne
TL;DR: 3,3,6,6-Tetramethyl-octa-1,7-diyne (CAS 64020-56-0) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethylocta-1,7-diyne
Also Known As: 3,3,6,6-Tetramethyl-octa-1,7-diyne, 3,3,6,6-tetramethylocta-1,7-diyne
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 64020-56-0 |
|---|---|
| SMILES | CC(C)(CCC(C)(C)C#C)C#C |
| InChIKey | UNXNRDMTCTWLJR-UHFFFAOYSA-N |
Product Overview
3,3,6,6-Tetramethyl-octa-1,7-diyne (CAS 64020-56-0), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 3,3,6,6-tetramethylocta-1,7-diyne.
Chemical Property Profile of 3,3,6,6-Tetramethyl-octa-1,7-diyne
Property Insights of 3,3,6,6-Tetramethyl-octa-1,7-diyne
The XLogP value of 4.2 indicates that 3,3,6,6-Tetramethyl-octa-1,7-diyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,6,6-Tetramethyl-octa-1,7-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6,6-Tetramethyl-octa-1,7-diyne 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 3,3,6,6-Tetramethyl-octa-1,7-diyne?
The CAS number of 3,3,6,6-Tetramethyl-octa-1,7-diyne is 64020-56-0.
What is the molecular formula of 3,3,6,6-Tetramethyl-octa-1,7-diyne?
The molecular formula of 3,3,6,6-Tetramethyl-octa-1,7-diyne is C12H18.
What is the molecular weight of 3,3,6,6-Tetramethyl-octa-1,7-diyne?
The molecular weight of 3,3,6,6-Tetramethyl-octa-1,7-diyne is 162.14 g/mol.
Where can I buy 3,3,6,6-Tetramethyl-octa-1,7-diyne?
You can request a quote for 3,3,6,6-Tetramethyl-octa-1,7-diyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6,6-Tetramethyl-octa-1,7-diyne?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-Tetramethyl-octa-1,7-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.