Octahydropentalene-1,4-dione
TL;DR: Octahydropentalene-1,4-dione (CAS 77483-80-8) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3a,5,6,6a-hexahydropentalene-1,4-dione
Also Known As: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione, octahydropentalene-1,4-dione, perhydropentalene-1,4-dione, hexahydropentalene-1,4-dione, Dicyclohexano-24-crown-8
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 77483-80-8 |
|---|---|
| SMILES | C1CC(=O)C2C1C(=O)CC2 |
| InChIKey | CRNNTLZNPCCYDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octahydropentalene-1,4-dione (CAS 77483-80-8), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 2,3,3a,5,6,6a-hexahydropentalene-1,4-dione.
Chemical Property Profile of Octahydropentalene-1,4-dione
Property Insights of Octahydropentalene-1,4-dione
The XLogP value of -0.1 indicates that Octahydropentalene-1,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, Octahydropentalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydropentalene-1,4-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 Octahydropentalene-1,4-dione?
The CAS number of Octahydropentalene-1,4-dione is 77483-80-8.
What is the molecular formula of Octahydropentalene-1,4-dione?
The molecular formula of Octahydropentalene-1,4-dione is C8H10O2.
What is the molecular weight of Octahydropentalene-1,4-dione?
The molecular weight of Octahydropentalene-1,4-dione is 138.07 g/mol.
Where can I buy Octahydropentalene-1,4-dione?
You can request a quote for Octahydropentalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydropentalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for Octahydropentalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.