1-Methyl-1-propenyl acetate
TL;DR: 1-Methyl-1-propenyl acetate (CAS 15984-02-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-but-2-en-2-yl] acetate
Also Known As: 1-methyl-1-propenyl acetate, but-2-en-2-yl acetate, 1-Methylprop-1-enyl acetate, [(E)-but-2-en-2-yl] acetate, Acetic acid 2-buten-2-yl ester
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
| SMILES | C/C=C(\C)/OC(=O)C |
| InChIKey | OOCFREXEVDCHGU-SNAWJCMRSA-N |
Chemical Property Profile of 1-Methyl-1-propenyl acetate
Property Insights of 1-Methyl-1-propenyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-propenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methyl-1-propenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-propenyl acetate has 0 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 1-Methyl-1-propenyl acetate?
The CAS number of 1-Methyl-1-propenyl acetate is 15984-02-8.
What is the molecular formula of 1-Methyl-1-propenyl acetate?
The molecular formula of 1-Methyl-1-propenyl acetate is C6H10O2.
What is the molecular weight of 1-Methyl-1-propenyl acetate?
The molecular weight of 1-Methyl-1-propenyl acetate is 114.06808 g/mol.
Where can I buy 1-Methyl-1-propenyl acetate?
You can request a quote for 1-Methyl-1-propenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-1-propenyl acetate?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-1-propenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.