5-Methyloct-3-yne-1,5-diol
TL;DR: 5-Methyloct-3-yne-1,5-diol (CAS 1559-65-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyloct-3-yne-1,5-diol
Also Known As: 5-methyloct-3-yne-1,5-diol, 5-Methyl-3-octyne-1,5-diol, 4-methyl-5-octyne-4,8-diol, 3-OCTYNE-1,5-DIOL, 5-METHYL-, RefChem:1073152
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 1559-65-5 |
|---|---|
| SMILES | CCCC(C)(C#CCCO)O |
| InChIKey | CGVDBRFZECWFMV-UHFFFAOYSA-N |
Product Overview
5-Methyloct-3-yne-1,5-diol (CAS 1559-65-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 5-methyloct-3-yne-1,5-diol.
Chemical Property Profile of 5-Methyloct-3-yne-1,5-diol
Property Insights of 5-Methyloct-3-yne-1,5-diol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyloct-3-yne-1,5-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Methyloct-3-yne-1,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyloct-3-yne-1,5-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
Frequently Asked Questions
What is the CAS number of 5-Methyloct-3-yne-1,5-diol?
The CAS number of 5-Methyloct-3-yne-1,5-diol is 1559-65-5.
What is the molecular formula of 5-Methyloct-3-yne-1,5-diol?
The molecular formula of 5-Methyloct-3-yne-1,5-diol is C9H16O2.
What is the molecular weight of 5-Methyloct-3-yne-1,5-diol?
The molecular weight of 5-Methyloct-3-yne-1,5-diol is 156.12 g/mol.
Where can I buy 5-Methyloct-3-yne-1,5-diol?
You can request a quote for 5-Methyloct-3-yne-1,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyloct-3-yne-1,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyloct-3-yne-1,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.