3,3-Dimethoxy-2-butanone
TL;DR: 3,3-Dimethoxy-2-butanone (CAS 21983-72-2) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethoxybutan-2-one
Also Known As: 3,3-Dimethoxybutan-2-one, 3,3-Dimethoxy-2-butanone, 2-Butanone, 3,3-dimethoxy-, 3,3-Dimethoxy-2-oxobutane, 2,6-Dimethyl-1-heptene
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 21983-72-2 |
|---|---|
| SMILES | CC(=O)C(C)(OC)OC |
| InChIKey | UFQBSPGKRRSATO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethoxy-2-butanone (CAS 21983-72-2), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 3,3-dimethoxybutan-2-one.
Chemical Property Profile of 3,3-Dimethoxy-2-butanone
Property Insights of 3,3-Dimethoxy-2-butanone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethoxy-2-butanone. With a topological polar surface area (TPSA) of 35.5 Ų, 3,3-Dimethoxy-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethoxy-2-butanone 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 3,3-Dimethoxy-2-butanone?
The CAS number of 3,3-Dimethoxy-2-butanone is 21983-72-2.
What is the molecular formula of 3,3-Dimethoxy-2-butanone?
The molecular formula of 3,3-Dimethoxy-2-butanone is C6H12O3.
What is the molecular weight of 3,3-Dimethoxy-2-butanone?
The molecular weight of 3,3-Dimethoxy-2-butanone is 132.08 g/mol.
Where can I buy 3,3-Dimethoxy-2-butanone?
You can request a quote for 3,3-Dimethoxy-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethoxy-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethoxy-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.