Acetic acid, (1,2-dimethyl-1-propenyl) ester
TL;DR: Acetic acid, (1,2-dimethyl-1-propenyl) ester (CAS 3814-41-3) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-en-2-yl acetate
Also Known As: 3-methylbut-2-en-2-yl acetate, 1,2-Dimethyl-1-propenyl acetate, 1,2-Dimethyl-1-propenyl acetate #, J3.743.992D, Acetic acid, (1,2-dimethyl-1-propenyl) ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 3814-41-3 |
|---|---|
| SMILES | CC(=C(C)OC(=O)C)C |
| InChIKey | GFUSSNHNFRXUHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, (1,2-dimethyl-1-propenyl) ester (CAS 3814-41-3), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3-methylbut-2-en-2-yl acetate.
Chemical Property Profile of Acetic acid, (1,2-dimethyl-1-propenyl) ester
Property Insights of Acetic acid, (1,2-dimethyl-1-propenyl) ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (1,2-dimethyl-1-propenyl) ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, (1,2-dimethyl-1-propenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (1,2-dimethyl-1-propenyl) ester 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 Acetic acid, (1,2-dimethyl-1-propenyl) ester?
The CAS number of Acetic acid, (1,2-dimethyl-1-propenyl) ester is 3814-41-3.
What is the molecular formula of Acetic acid, (1,2-dimethyl-1-propenyl) ester?
The molecular formula of Acetic acid, (1,2-dimethyl-1-propenyl) ester is C7H12O2.
What is the molecular weight of Acetic acid, (1,2-dimethyl-1-propenyl) ester?
The molecular weight of Acetic acid, (1,2-dimethyl-1-propenyl) ester is 128.08 g/mol.
Where can I buy Acetic acid, (1,2-dimethyl-1-propenyl) ester?
You can request a quote for Acetic acid, (1,2-dimethyl-1-propenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (1,2-dimethyl-1-propenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (1,2-dimethyl-1-propenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.