5-壬酮
TL;DR: 5-壬酮 (CAS 502-56-7) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-壬酮
nonan-5-one
Also Known As: 5-Nonanone, Nonan-5-one, Butyl ketone, Di-n-butyl ketone, 5-Oxononane
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
| Melting Point | -6.1 °C |
| Boiling Point | 187.8 °C at 760 mmHg |
| Density | 0.822 at 20.0 °C - Less dense than water; will float |
| Solubility | Soluble in ethanol; very soluble in ether and chloroform |
| Flash Point | 60 °C (closed cup) |
| Vapor Pressure | 0.55 [mmHg] |
| Refractive Index | 1.4195 at 20 °C |
Chemical Identifiers
| CAS Number | 502-56-7 |
|---|---|
| SMILES | CCCCC(=O)CCCC |
| InChIKey | WSGCRAOTEDLMFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-壬酮 (CAS 502-56-7), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: nonan-5-one.
Chemical Property Profile of 5-壬酮
Property Insights of 5-壬酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-壬酮. With a topological polar surface area (TPSA) of 17.1 Ų, 5-壬酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-壬酮 has 0 hydrogen bond donor(s) and 1 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 5-壬酮?
The CAS number of 5-壬酮 is 502-56-7.
What is the molecular formula of 5-壬酮?
The molecular formula of 5-壬酮 is C9H18O.
What is the molecular weight of 5-壬酮?
The molecular weight of 5-壬酮 is 142.14 g/mol.
Where can I buy 5-壬酮?
You can request a quote for 5-壬酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-壬酮?
Yes, KEHONG BIO provides custom synthesis services for 5-壬酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.