2,2,7,7-Tetramethyl-3-octen-5-yne
TL;DR: 2,2,7,7-Tetramethyl-3-octen-5-yne (CAS 55682-74-1) 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.
(E)-2,2,7,7-tetramethyloct-3-en-5-yne
Also Known As: 2,2,7,7-Tetramethyl-3-octen-5-yne, 3-Octen-5-yne, 2,2,7,7-tetramethyl-, -2,2,7,7-Tetramethyl-3-octen-5-yne, 1,4-Di-tert-butyl-1-butene-3-yne, (E)-2,2,7,7-Tetramethyl-3-octen-5-yne
| Molecular Formula | C12H20 |
|---|---|
| Molecular Weight | 164.16 g/mol |
| LogP | 3.6382 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.1565 |
| Heavy Atoms | 12 |
| Complexity | 207.13866 |
Chemical Identifiers
| CAS Number | 55682-74-1 |
|---|---|
| SMILES | CC(C)(C)/C=C/C#CC(C)(C)C |
Product Overview
2,2,7,7-Tetramethyl-3-octen-5-yne (CAS 55682-74-1), with molecular formula C12H20 and molecular weight 164.16 g/mol. IUPAC: (E)-2,2,7,7-tetramethyloct-3-en-5-yne.
Chemical Property Profile of 2,2,7,7-Tetramethyl-3-octen-5-yne
Property Insights of 2,2,7,7-Tetramethyl-3-octen-5-yne
The XLogP value of 3.6382 indicates that 2,2,7,7-Tetramethyl-3-octen-5-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, 2,2,7,7-Tetramethyl-3-octen-5-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyl-3-octen-5-yne 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 2,2,7,7-Tetramethyl-3-octen-5-yne?
The CAS number of 2,2,7,7-Tetramethyl-3-octen-5-yne is 55682-74-1.
What is the molecular formula of 2,2,7,7-Tetramethyl-3-octen-5-yne?
The molecular formula of 2,2,7,7-Tetramethyl-3-octen-5-yne is C12H20.
What is the molecular weight of 2,2,7,7-Tetramethyl-3-octen-5-yne?
The molecular weight of 2,2,7,7-Tetramethyl-3-octen-5-yne is 164.16 g/mol.
Where can I buy 2,2,7,7-Tetramethyl-3-octen-5-yne?
You can request a quote for 2,2,7,7-Tetramethyl-3-octen-5-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyl-3-octen-5-yne?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyl-3-octen-5-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.