Cyclodecane-1,6-dione
TL;DR: Cyclodecane-1,6-dione (CAS 38957-79-8) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclodecane-1,6-dione
Also Known As: 1,6-Cyclodecanedione, cyclodecane-1,6-dione, Cyclodeca-1,6-diin, RefChem:1082445
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 38957-79-8 |
|---|---|
| SMILES | C1CCC(=O)CCCCC(=O)C1 |
| InChIKey | KBSGQTAYVRWUEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclodecane-1,6-dione (CAS 38957-79-8), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: cyclodecane-1,6-dione.
Chemical Property Profile of Cyclodecane-1,6-dione
Property Insights of Cyclodecane-1,6-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclodecane-1,6-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Cyclodecane-1,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclodecane-1,6-dione 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 Cyclodecane-1,6-dione?
The CAS number of Cyclodecane-1,6-dione is 38957-79-8.
What is the molecular formula of Cyclodecane-1,6-dione?
The molecular formula of Cyclodecane-1,6-dione is C10H16O2.
What is the molecular weight of Cyclodecane-1,6-dione?
The molecular weight of Cyclodecane-1,6-dione is 168.12 g/mol.
Where can I buy Cyclodecane-1,6-dione?
You can request a quote for Cyclodecane-1,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclodecane-1,6-dione?
Yes, KEHONG BIO provides custom synthesis services for Cyclodecane-1,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.