6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
TL;DR: 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione (CAS 5617-70-9) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
Also Known As: 6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione, cycl-Isopropylidene cyclopropane-1,1-dicarboxylate, 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione, c1334, CYCLOPRPANE-1,1-DICRBXLIC 1GM
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 5617-70-9 |
|---|---|
| SMILES | CC1(OC(=O)C2(CC2)C(=O)O1)C |
| InChIKey | AXJVPXNVESYGDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione (CAS 5617-70-9), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione.
Chemical Property Profile of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
Property Insights of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione has 0 hydrogen bond donor(s) and 4 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 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione?
The CAS number of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione is 5617-70-9.
What is the molecular formula of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione?
The molecular formula of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione is C8H10O4.
What is the molecular weight of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione?
The molecular weight of 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione is 170.06 g/mol.
Where can I buy 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione?
You can request a quote for 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.