![1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one structure](/static/products/7041/70412-52-1.webp)
1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one
TL;DR: 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one (CAS 70412-52-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7,7-tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one
Also Known As: 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one, 1,3,7,7-Tetramethyl-2,11-dioxabicyclo(4.4.1)undeca-3,5-dien-10-one, 2,11-Dioxabicyclo[4.4.1]undeca-3,5-dien-10-one, 1,3,7,7-tetramethyl-, 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one #, 2,2,6,8-tetramethyl-7,11-dioxabicyclo[4.4.1]undeca-1(10),8-dien-5-one
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 70412-52-1 |
|---|---|
| SMILES | CC1=CC=C2C(CCC(=O)C(O1)(O2)C)(C)C |
| InChIKey | ZYBHCGAHPGDGLE-UHFFFAOYSA-N |
Product Overview
1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one (CAS 70412-52-1), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 1,3,7,7-tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one.
Chemical Property Profile of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one
Property Insights of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-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 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one?
The CAS number of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one is 70412-52-1.
What is the molecular formula of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one?
The molecular formula of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one is C13H18O3.
What is the molecular weight of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one?
The molecular weight of 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one is 222.13 g/mol.
Where can I buy 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one?
You can request a quote for 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7,7-Tetramethyl-2,11-dioxabicyclo[4.4.1]undeca-3,5-dien-10-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.