4-Methyl-2-pentanone dimethylacetal
TL;DR: 4-Methyl-2-pentanone dimethylacetal (CAS 1112-78-3) is a chemical compound with molecular formula CC(C)CC(C)(OC)OC and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethoxy-4-methylpentane
Also Known As: 2,2-dimethoxy-4-methylpentane, 4-Methyl-2-pentanone dimethylacetal, 4-Methyl-2,2-dimethoxypentane, Methylisobutyl ketone dimethyl acetal, 4-Methyl-2-pentanone dimethyl acetal
| Molecular Formula | CC(C)CC(C)(OC)OC |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 1112-78-3 |
|---|---|
| SMILES | CC(C)CC(C)(OC)OC |
| InChIKey | WCPUFSIDCWSGEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-pentanone dimethylacetal (CAS 1112-78-3), with molecular formula CC(C)CC(C)(OC)OC and molecular weight 146.13 g/mol. IUPAC: 2,2-dimethoxy-4-methylpentane.
Chemical Property Profile of 4-Methyl-2-pentanone dimethylacetal
Property Insights of 4-Methyl-2-pentanone dimethylacetal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-pentanone dimethylacetal. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Methyl-2-pentanone dimethylacetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-pentanone dimethylacetal 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 4-Methyl-2-pentanone dimethylacetal?
The CAS number of 4-Methyl-2-pentanone dimethylacetal is 1112-78-3.
What is the molecular formula of 4-Methyl-2-pentanone dimethylacetal?
The molecular formula of 4-Methyl-2-pentanone dimethylacetal is CC(C)CC(C)(OC)OC.
What is the molecular weight of 4-Methyl-2-pentanone dimethylacetal?
The molecular weight of 4-Methyl-2-pentanone dimethylacetal is 146.13 g/mol.
Where can I buy 4-Methyl-2-pentanone dimethylacetal?
You can request a quote for 4-Methyl-2-pentanone dimethylacetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-pentanone dimethylacetal?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-pentanone dimethylacetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.