1,5-Dioxonane-6,9-dione, 3,3-dimethyl-
TL;DR: 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- (CAS 7445-18-3) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1,5-dioxonane-6,9-dione
Also Known As: 3,3-Dimethyl-1,5-dioxonane-6,9-dione, Neopentyl glycol succinate (1:1), Bis(trifluoromethyl)thioketene, 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-, NEOPENTYL GLYCOL SUCCINATE
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 7445-18-3 |
|---|---|
| SMILES | CC1(COC(=O)CCC(=O)OC1)C |
| InChIKey | OYTPRMNLNFBYDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dioxonane-6,9-dione, 3,3-dimethyl- (CAS 7445-18-3), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 3,3-dimethyl-1,5-dioxonane-6,9-dione.
Chemical Property Profile of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-
Property Insights of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- 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 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-?
The CAS number of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- is 7445-18-3.
What is the molecular formula of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-?
The molecular formula of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- is C9H14O4.
What is the molecular weight of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-?
The molecular weight of 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- is 186.09 g/mol.
Where can I buy 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-?
You can request a quote for 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dioxonane-6,9-dione, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dioxonane-6,9-dione, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.