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1,1-Bis[(propan-2-yl)oxy]propan-2-one
TL;DR: 1,1-Bis[(propan-2-yl)oxy]propan-2-one (CAS 59044-05-2) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-di(propan-2-yloxy)propan-2-one
Also Known As: 1,1-Diisopropoxy-2-propanone, 1,1-di(propan-2-yloxy)propan-2-one, 1,1-Bis[(propan-2-yl)oxy]propan-2-one, 1,1-bis(propan-2-yloxy)propan-2-one, J2.462.330K
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 59044-05-2 |
|---|---|
| SMILES | CC(C)OC(C(=O)C)OC(C)C |
| InChIKey | CGELELZCENMCKP-UHFFFAOYSA-N |
Product Overview
1,1-Bis[(propan-2-yl)oxy]propan-2-one (CAS 59044-05-2), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 1,1-di(propan-2-yloxy)propan-2-one.
Chemical Property Profile of 1,1-Bis[(propan-2-yl)oxy]propan-2-one
Property Insights of 1,1-Bis[(propan-2-yl)oxy]propan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis[(propan-2-yl)oxy]propan-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1,1-Bis[(propan-2-yl)oxy]propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis[(propan-2-yl)oxy]propan-2-one has 0 hydrogen bond donor(s) and 3 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-Bis[(propan-2-yl)oxy]propan-2-one?
The CAS number of 1,1-Bis[(propan-2-yl)oxy]propan-2-one is 59044-05-2.
What is the molecular formula of 1,1-Bis[(propan-2-yl)oxy]propan-2-one?
The molecular formula of 1,1-Bis[(propan-2-yl)oxy]propan-2-one is C9H18O3.
What is the molecular weight of 1,1-Bis[(propan-2-yl)oxy]propan-2-one?
The molecular weight of 1,1-Bis[(propan-2-yl)oxy]propan-2-one is 174.13 g/mol.
Where can I buy 1,1-Bis[(propan-2-yl)oxy]propan-2-one?
You can request a quote for 1,1-Bis[(propan-2-yl)oxy]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis[(propan-2-yl)oxy]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis[(propan-2-yl)oxy]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.