3-(Tert-butoxy)prop-1-yne
TL;DR: 3-(Tert-butoxy)prop-1-yne (CAS 16314-18-4) is a chemical compound with molecular formula C7H12O and molecular weight 112.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-2-prop-2-ynoxypropane
Also Known As: 3-(tert-butoxy)prop-1-yne, TERT-BUTYL PROPARGYL ETHER, 2-methyl-2-prop-2-ynoxypropane, tert-Butylpropargyl ether, 1-Propyne, 3-(1,1-dimethylethoxy)-
Technical Specifications
| Molecular Formula | C7H12O |
| Molecular Weight | 112.08881 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.08881 Da |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
| SMILES | CC(C)(C)OCC#C |
| InChIKey | QIGSPXPODKLGRK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Tert-butoxy)prop-1-yne
Property Insights of 3-(Tert-butoxy)prop-1-yne
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butoxy)prop-1-yne. With a topological polar surface area (TPSA) of 9.2 Ų, 3-(Tert-butoxy)prop-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butoxy)prop-1-yne 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
What is the CAS number of 3-(Tert-butoxy)prop-1-yne?
The CAS number of 3-(Tert-butoxy)prop-1-yne is 16314-18-4.
What is the molecular formula of 3-(Tert-butoxy)prop-1-yne?
The molecular formula of 3-(Tert-butoxy)prop-1-yne is C7H12O.
What is the molecular weight of 3-(Tert-butoxy)prop-1-yne?
The molecular weight of 3-(Tert-butoxy)prop-1-yne is 112.08881 g/mol.
Where can I buy 3-(Tert-butoxy)prop-1-yne?
You can request a quote for 3-(Tert-butoxy)prop-1-yne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Tert-butoxy)prop-1-yne?
Yes, CoreyChem provides custom synthesis services for 3-(Tert-butoxy)prop-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.