2-Methylpropylene diacetate
TL;DR: 2-Methylpropylene diacetate (CAS 22007-58-5) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-2-methylpropyl) acetate
Also Known As: 2-Methylpropylene diacetate, Isobutylenglycoldiacetat, 2-methylpropane-1,2-diyl diacetate, (2-acetyloxy-2-methylpropyl) acetate, 2-Methyl-1,2-propanediol diacetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 22007-58-5 |
|---|---|
| SMILES | CC(=O)OCC(C)(C)OC(=O)C |
| InChIKey | YXNVQGOUNCUZKH-UHFFFAOYSA-N |
Product Overview
2-Methylpropylene diacetate (CAS 22007-58-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (2-acetyloxy-2-methylpropyl) acetate.
Chemical Property Profile of 2-Methylpropylene diacetate
Property Insights of 2-Methylpropylene diacetate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropylene diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methylpropylene diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropylene diacetate has 0 hydrogen bond donor(s) and 4 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 2-Methylpropylene diacetate?
The CAS number of 2-Methylpropylene diacetate is 22007-58-5.
What is the molecular formula of 2-Methylpropylene diacetate?
The molecular formula of 2-Methylpropylene diacetate is C8H14O4.
What is the molecular weight of 2-Methylpropylene diacetate?
The molecular weight of 2-Methylpropylene diacetate is 174.09 g/mol.
Where can I buy 2-Methylpropylene diacetate?
You can request a quote for 2-Methylpropylene diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropylene diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropylene diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.