3-Ethoxy-3-methyl-2-butanone
TL;DR: 3-Ethoxy-3-methyl-2-butanone (CAS 36687-99-7) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-3-methylbutan-2-one
Also Known As: 3-ethoxy-3-methylbutan-2-one, 3-ETHOXY-3-METHYL-2-BUTANONE, 2-Butanone, 3-ethoxy-3-methyl-, 2-Ethoxy-2-methyl-butan-3-on, 3-Ethoxy-3-methyl-2-butanone #
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 36687-99-7 |
|---|---|
| SMILES | CCOC(C)(C)C(=O)C |
| InChIKey | CCFVIXLUALAAQN-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-3-methyl-2-butanone (CAS 36687-99-7), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 3-ethoxy-3-methylbutan-2-one.
Chemical Property Profile of 3-Ethoxy-3-methyl-2-butanone
Property Insights of 3-Ethoxy-3-methyl-2-butanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-3-methyl-2-butanone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Ethoxy-3-methyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-3-methyl-2-butanone 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 3-Ethoxy-3-methyl-2-butanone?
The CAS number of 3-Ethoxy-3-methyl-2-butanone is 36687-99-7.
What is the molecular formula of 3-Ethoxy-3-methyl-2-butanone?
The molecular formula of 3-Ethoxy-3-methyl-2-butanone is C7H14O2.
What is the molecular weight of 3-Ethoxy-3-methyl-2-butanone?
The molecular weight of 3-Ethoxy-3-methyl-2-butanone is 130.10 g/mol.
Where can I buy 3-Ethoxy-3-methyl-2-butanone?
You can request a quote for 3-Ethoxy-3-methyl-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-Ethoxy-3-methyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-3-methyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.