2,4-Heptadiyn-1-ol, 6,6-dimethyl-
TL;DR: 2,4-Heptadiyn-1-ol, 6,6-dimethyl- (CAS 114311-73-8) is a chemical compound with molecular formula C9H12O and molecular weight 136.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethylhepta-2,4-diyn-1-ol
Also Known As: 2,4-Heptadiyn-1-ol, 6,6-dimethyl-, 6,6-dimethylhepta-2,4-diyn-1-ol, starbld0007092, 6,6-Dimethyl-2,4-heptadiyn-1-ol, 1-hydroxy-6,6-dimethyl-2,4-heptadiyne
Technical Specifications
| Molecular Formula | C9H12O |
| Molecular Weight | 136.08882 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 Da |
| Heavy Atoms | 10 |
| Complexity | 217.0 |
| SMILES | CC(C)(C)C#CC#CCO |
| InChIKey | SBNRHJKPVFBTCL-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Heptadiyn-1-ol, 6,6-dimethyl-
Property Insights of 2,4-Heptadiyn-1-ol, 6,6-dimethyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Heptadiyn-1-ol, 6,6-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-Heptadiyn-1-ol, 6,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Heptadiyn-1-ol, 6,6-dimethyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Heptadiyn-1-ol, 6,6-dimethyl-?
The CAS number of 2,4-Heptadiyn-1-ol, 6,6-dimethyl- is 114311-73-8.
What is the molecular formula of 2,4-Heptadiyn-1-ol, 6,6-dimethyl-?
The molecular formula of 2,4-Heptadiyn-1-ol, 6,6-dimethyl- is C9H12O.
What is the molecular weight of 2,4-Heptadiyn-1-ol, 6,6-dimethyl-?
The molecular weight of 2,4-Heptadiyn-1-ol, 6,6-dimethyl- is 136.08882 g/mol.
Where can I buy 2,4-Heptadiyn-1-ol, 6,6-dimethyl-?
You can request a quote for 2,4-Heptadiyn-1-ol, 6,6-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Heptadiyn-1-ol, 6,6-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 2,4-Heptadiyn-1-ol, 6,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.