3-(1,1-Dimethylethoxy)-1-propene
TL;DR: 3-(1,1-Dimethylethoxy)-1-propene (CAS 1471-04-1) is a chemical compound with molecular formula CC(C)(C)OCC=C and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-prop-2-enoxypropane
Also Known As: Allyl tert-butyl ether, Ether, allyl tert-butyl, 3-(tert-butoxy)prop-1-ene, allyl t-butyl ether, 1-Propene, 3-(1,1-dimethylethoxy)-
| Molecular Formula | CC(C)(C)OCC=C |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 1471-04-1 |
|---|---|
| SMILES | CC(C)(C)OCC=C |
| InChIKey | FHVRTMVXBVDWCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,1-Dimethylethoxy)-1-propene (CAS 1471-04-1), with molecular formula CC(C)(C)OCC=C and molecular weight 114.10 g/mol. IUPAC: 2-methyl-2-prop-2-enoxypropane.
Chemical Property Profile of 3-(1,1-Dimethylethoxy)-1-propene
Property Insights of 3-(1,1-Dimethylethoxy)-1-propene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-Dimethylethoxy)-1-propene. With a topological polar surface area (TPSA) of 9.2 Ų, 3-(1,1-Dimethylethoxy)-1-propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Dimethylethoxy)-1-propene 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-(1,1-Dimethylethoxy)-1-propene?
The CAS number of 3-(1,1-Dimethylethoxy)-1-propene is 1471-04-1.
What is the molecular formula of 3-(1,1-Dimethylethoxy)-1-propene?
The molecular formula of 3-(1,1-Dimethylethoxy)-1-propene is CC(C)(C)OCC=C.
What is the molecular weight of 3-(1,1-Dimethylethoxy)-1-propene?
The molecular weight of 3-(1,1-Dimethylethoxy)-1-propene is 114.10 g/mol.
Where can I buy 3-(1,1-Dimethylethoxy)-1-propene?
You can request a quote for 3-(1,1-Dimethylethoxy)-1-propene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dimethylethoxy)-1-propene?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dimethylethoxy)-1-propene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.