4,7-Dimethyl-5-decyne-4,7-diol
TL;DR: 4,7-Dimethyl-5-decyne-4,7-diol (CAS 130096-08-1) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethyldec-5-yne-4,7-diol
Also Known As: 4,7-dimethyldec-5-yne-4,7-diol, 4,7-Dimethyl-5-decyn-4,7-diol, Surfynol 102, 4,7-Dimethyl-5-decyne-4,7-diol, 5-Decyne-4, 4,7-dimethyl-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CCCC(C)(C#CC(C)(CCC)O)O |
| InChIKey | HCKFFIBKYQSDRD-UHFFFAOYSA-N |
Chemical Property Profile of 4,7-Dimethyl-5-decyne-4,7-diol
Property Insights of 4,7-Dimethyl-5-decyne-4,7-diol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dimethyl-5-decyne-4,7-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 4,7-Dimethyl-5-decyne-4,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dimethyl-5-decyne-4,7-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,7-Dimethyl-5-decyne-4,7-diol?
The CAS number of 4,7-Dimethyl-5-decyne-4,7-diol is 130096-08-1.
What is the molecular formula of 4,7-Dimethyl-5-decyne-4,7-diol?
The molecular formula of 4,7-Dimethyl-5-decyne-4,7-diol is C12H22O2.
What is the molecular weight of 4,7-Dimethyl-5-decyne-4,7-diol?
The molecular weight of 4,7-Dimethyl-5-decyne-4,7-diol is 198.16199 g/mol.
Where can I buy 4,7-Dimethyl-5-decyne-4,7-diol?
You can request a quote for 4,7-Dimethyl-5-decyne-4,7-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,7-Dimethyl-5-decyne-4,7-diol?
Yes, CoreyChem provides custom synthesis services for 4,7-Dimethyl-5-decyne-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.