3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one
TL;DR: 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one (CAS 69225-59-8) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
Also Known As: 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one, 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal), Maybridge1_004236, EINECS 273-918-4, 1,5-Dioxaspiro[5.5]undecan-9-one, 3,3-dimethyl-
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 69225-59-8 |
|---|---|
| SMILES | CC1(COC2(CCC(=O)CC2)OC1)C |
| InChIKey | COKVDTKAWIFNTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one (CAS 69225-59-8), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: 3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one.
Chemical Property Profile of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one
Property Insights of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one. With a topological polar surface area (TPSA) of 35.5 Ų, 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one has 0 hydrogen bond donor(s) and 3 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 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one?
The CAS number of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one is 69225-59-8.
What is the molecular formula of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one?
The molecular formula of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one is C11H18O3.
What is the molecular weight of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one?
The molecular weight of 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one is 198.13 g/mol.
Where can I buy 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one?
You can request a quote for 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.