3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane
TL;DR: 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane (CAS 65885-60-1) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hept-1-ynyl-2,2-dimethyloxirane
Also Known As: 3-hept-1-ynyl-2,2-dimethyloxirane, 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane, RefChem:275541
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 65885-60-1 |
|---|---|
| SMILES | CCCCCC#CC1C(O1)(C)C |
| InChIKey | YCIJWNWXRRSFDL-UHFFFAOYSA-N |
Product Overview
3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane (CAS 65885-60-1), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 3-hept-1-ynyl-2,2-dimethyloxirane.
Chemical Property Profile of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane
Property Insights of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane
The XLogP value of 3.2 indicates that 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane has 0 hydrogen bond donor(s) and 1 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 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane?
The CAS number of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane is 65885-60-1.
What is the molecular formula of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane?
The molecular formula of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane is C11H18O.
What is the molecular weight of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane?
The molecular weight of 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane is 166.14 g/mol.
Where can I buy 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane?
You can request a quote for 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hept-1-yn-1-yl)-2,2-dimethyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.