Diallylidene pentaerythritol
TL;DR: Diallylidene pentaerythritol (CAS 78-19-3) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-bis(ethenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Also Known As: 3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane, Diallylidene pentaerythritol, Pentaerythritol diacrolein acetal, 3,9-Divinylspirobi(m-dioxane), Diallylidenepentaerythritol
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 78-19-3 |
|---|---|
| SMILES | C=CC1OCC2(CO1)COC(OC2)C=C |
| InChIKey | OOXMQACSWCZQLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallylidene pentaerythritol (CAS 78-19-3), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: 3,9-bis(ethenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
Chemical Property Profile of Diallylidene pentaerythritol
Property Insights of Diallylidene pentaerythritol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallylidene pentaerythritol. With a topological polar surface area (TPSA) of 36.9 Ų, Diallylidene pentaerythritol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallylidene pentaerythritol 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 Diallylidene pentaerythritol?
The CAS number of Diallylidene pentaerythritol is 78-19-3.
What is the molecular formula of Diallylidene pentaerythritol?
The molecular formula of Diallylidene pentaerythritol is C11H16O4.
What is the molecular weight of Diallylidene pentaerythritol?
The molecular weight of Diallylidene pentaerythritol is 212.10 g/mol.
Where can I buy Diallylidene pentaerythritol?
You can request a quote for Diallylidene pentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallylidene pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Diallylidene pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.