(E,E)-Di-1-propenyl methyl orthoacetate
TL;DR: (E,E)-Di-1-propenyl methyl orthoacetate (CAS 66178-23-2) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[1-methoxy-1-[(E)-prop-1-enoxy]ethoxy]prop-1-ene
Also Known As: (E,E)-Di-1-propenyl methyl orthoacetate, (E,E) Di-1-propenyl methyl orthoacetate, (E)-1-[1-methoxy-1-[(E)-prop-1-enoxy]ethoxy]prop-1-ene
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 2.4069 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 147.15659 |
Chemical Identifiers
| CAS Number | 66178-23-2 |
|---|---|
| SMILES | C/C=C/OC(O/C=C/C)(OC)C |
Product Overview
(E,E)-Di-1-propenyl methyl orthoacetate (CAS 66178-23-2), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (E)-1-[1-methoxy-1-[(E)-prop-1-enoxy]ethoxy]prop-1-ene.
Chemical Property Profile of (E,E)-Di-1-propenyl methyl orthoacetate
Property Insights of (E,E)-Di-1-propenyl methyl orthoacetate
The XLogP value of 2.4069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E,E)-Di-1-propenyl methyl orthoacetate. With a topological polar surface area (TPSA) of 27.69 Ų, (E,E)-Di-1-propenyl methyl orthoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,E)-Di-1-propenyl methyl orthoacetate 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 (E,E)-Di-1-propenyl methyl orthoacetate?
The CAS number of (E,E)-Di-1-propenyl methyl orthoacetate is 66178-23-2.
What is the molecular formula of (E,E)-Di-1-propenyl methyl orthoacetate?
The molecular formula of (E,E)-Di-1-propenyl methyl orthoacetate is C9H16O3.
What is the molecular weight of (E,E)-Di-1-propenyl methyl orthoacetate?
The molecular weight of (E,E)-Di-1-propenyl methyl orthoacetate is 172.11 g/mol.
Where can I buy (E,E)-Di-1-propenyl methyl orthoacetate?
You can request a quote for (E,E)-Di-1-propenyl methyl orthoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,E)-Di-1-propenyl methyl orthoacetate?
Yes, KEHONG BIO provides custom synthesis services for (E,E)-Di-1-propenyl methyl orthoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.