2-Methylpropane-1,1-diyl diacetate
TL;DR: 2-Methylpropane-1,1-diyl diacetate (CAS 6939-52-2) 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.
(1-acetyloxy-2-methylpropyl) acetate
Also Known As: 2-methylpropane-1,1-diyl diacetate, (1-acetyloxy-2-methylpropyl) acetate, 1,1-Diacetoxy-2-methylpropane, 2-Methylpropanal diacetyl acetal, 1-(acetyloxy)-2-methylpropyl acetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.5 |
| 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 | 158.0 |
Chemical Identifiers
| CAS Number | 6939-52-2 |
|---|---|
| SMILES | CC(C)C(OC(=O)C)OC(=O)C |
| InChIKey | YZJNLSNJLRWSOW-UHFFFAOYSA-N |
Product Overview
2-Methylpropane-1,1-diyl diacetate (CAS 6939-52-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: (1-acetyloxy-2-methylpropyl) acetate.
Chemical Property Profile of 2-Methylpropane-1,1-diyl diacetate
Property Insights of 2-Methylpropane-1,1-diyl diacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropane-1,1-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methylpropane-1,1-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropane-1,1-diyl 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-Methylpropane-1,1-diyl diacetate?
The CAS number of 2-Methylpropane-1,1-diyl diacetate is 6939-52-2.
What is the molecular formula of 2-Methylpropane-1,1-diyl diacetate?
The molecular formula of 2-Methylpropane-1,1-diyl diacetate is C8H14O4.
What is the molecular weight of 2-Methylpropane-1,1-diyl diacetate?
The molecular weight of 2-Methylpropane-1,1-diyl diacetate is 174.09 g/mol.
Where can I buy 2-Methylpropane-1,1-diyl diacetate?
You can request a quote for 2-Methylpropane-1,1-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropane-1,1-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropane-1,1-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.