1,1-Dimethyl-2-acetoxyethylene
TL;DR: 1,1-Dimethyl-2-acetoxyethylene (CAS 14478-14-9) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-1-enyl acetate
Also Known As: isobutylene acetate, 1,1-dimethyl-2-acetoxyethylene, 2-methylprop-1-enyl acetate, 2-methylprop-1-en-1-yl acetate, Acetic acid, iso-butenyl ester
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 14478-14-9 |
|---|---|
| SMILES | CC(=COC(=O)C)C |
| InChIKey | MNJRLZXXSZEIHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-2-acetoxyethylene (CAS 14478-14-9), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 2-methylprop-1-enyl acetate.
Chemical Property Profile of 1,1-Dimethyl-2-acetoxyethylene
Property Insights of 1,1-Dimethyl-2-acetoxyethylene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-2-acetoxyethylene. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethyl-2-acetoxyethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-2-acetoxyethylene 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
Frequently Asked Questions
What is the CAS number of 1,1-Dimethyl-2-acetoxyethylene?
The CAS number of 1,1-Dimethyl-2-acetoxyethylene is 14478-14-9.
What is the molecular formula of 1,1-Dimethyl-2-acetoxyethylene?
The molecular formula of 1,1-Dimethyl-2-acetoxyethylene is C6H10O2.
What is the molecular weight of 1,1-Dimethyl-2-acetoxyethylene?
The molecular weight of 1,1-Dimethyl-2-acetoxyethylene is 114.07 g/mol.
Where can I buy 1,1-Dimethyl-2-acetoxyethylene?
You can request a quote for 1,1-Dimethyl-2-acetoxyethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-2-acetoxyethylene?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-2-acetoxyethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.