3-Ethyl-3-hydroxy-2-heptanone
TL;DR: 3-Ethyl-3-hydroxy-2-heptanone (CAS 54658-03-6) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-hydroxyheptan-2-one
Also Known As: 3-Ethyl-3-hydroxy-2-heptanone, 3-ethyl-3-hydroxyheptan-2-one, 2-Heptanone, 3-ethyl-3-hydroxy-, 3-Ethyl-3-hydroxy-2-heptanone #
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 54658-03-6 |
|---|---|
| SMILES | CCCCC(CC)(C(=O)C)O |
| InChIKey | DBGUSILTSVPXGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-3-hydroxy-2-heptanone (CAS 54658-03-6), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-ethyl-3-hydroxyheptan-2-one.
Chemical Property Profile of 3-Ethyl-3-hydroxy-2-heptanone
Property Insights of 3-Ethyl-3-hydroxy-2-heptanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-3-hydroxy-2-heptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Ethyl-3-hydroxy-2-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-3-hydroxy-2-heptanone has 1 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-Ethyl-3-hydroxy-2-heptanone?
The CAS number of 3-Ethyl-3-hydroxy-2-heptanone is 54658-03-6.
What is the molecular formula of 3-Ethyl-3-hydroxy-2-heptanone?
The molecular formula of 3-Ethyl-3-hydroxy-2-heptanone is C9H18O2.
What is the molecular weight of 3-Ethyl-3-hydroxy-2-heptanone?
The molecular weight of 3-Ethyl-3-hydroxy-2-heptanone is 158.13 g/mol.
Where can I buy 3-Ethyl-3-hydroxy-2-heptanone?
You can request a quote for 3-Ethyl-3-hydroxy-2-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-3-hydroxy-2-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-3-hydroxy-2-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.