2,2,7,7-Tetramethyl-3,5-octadiyne
TL;DR: 2,2,7,7-Tetramethyl-3,5-octadiyne (CAS 6130-98-9) 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.
2,2,7,7-tetramethylocta-3,5-diyne
Also Known As: 2,2,7,7-Tetramethylocta-3,5-diyne, 2,2,7,7-Tetramethyl-3,5-octadiyne, Bis(tert-butyl)diacetylene, (tert-C4H9C.equiv.C)2, DI-TERT-BUTYLBUTADIYNE
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 6130-98-9 |
|---|---|
| SMILES | CC(C)(C)C#CC#CC(C)(C)C |
| InChIKey | VCVMWFDNPLLHKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,7,7-Tetramethyl-3,5-octadiyne (CAS 6130-98-9), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: 2,2,7,7-tetramethylocta-3,5-diyne.
Chemical Property Profile of 2,2,7,7-Tetramethyl-3,5-octadiyne
Property Insights of 2,2,7,7-Tetramethyl-3,5-octadiyne
The XLogP value of 4.4 indicates that 2,2,7,7-Tetramethyl-3,5-octadiyne 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-3,5-octadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyl-3,5-octadiyne 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-3,5-octadiyne?
The CAS number of 2,2,7,7-Tetramethyl-3,5-octadiyne is 6130-98-9.
What is the molecular formula of 2,2,7,7-Tetramethyl-3,5-octadiyne?
The molecular formula of 2,2,7,7-Tetramethyl-3,5-octadiyne is C12H18.
What is the molecular weight of 2,2,7,7-Tetramethyl-3,5-octadiyne?
The molecular weight of 2,2,7,7-Tetramethyl-3,5-octadiyne is 162.14 g/mol.
Where can I buy 2,2,7,7-Tetramethyl-3,5-octadiyne?
You can request a quote for 2,2,7,7-Tetramethyl-3,5-octadiyne 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-3,5-octadiyne?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyl-3,5-octadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.